data_1q10_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 1q10 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.68 0.276 . . . . 2.29 110.366 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.402 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 6.5 m-85 -126.6 145.79 50.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.93 110.985 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' B' ' 51' ' ' THR . 62.3 tttp -102.1 108.24 19.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.0 -0.546 . . . . 2.88 110.25 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 49.9 t -95.65 131.95 41.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.017 0.437 . . . . 1.08 111.126 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.431 HD12 HG22 ' A' ' 6' ' ' ILE . 73.6 mt -107.73 118.6 55.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.928 -0.578 . . . . 1.15 110.759 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.457 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 15.5 mt -96.93 82.29 3.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.964 -0.562 . . . . 1.14 109.491 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.626 ' O ' ' HA ' ' B' ' 55' ' ' THR . 34.4 t-20 -94.17 109.56 21.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.46 -0.791 . . . . 2.09 112.379 -178.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.03 -167.04 13.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.57 111.738 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -86.69 -58.12 2.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.045 0.45 . . . . 3.36 110.038 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.5 p -94.57 -5.33 46.11 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.735 -0.666 . . . . 1.06 110.688 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.495 HD11 ' OG1' ' B' ' 16' ' ' THR . 22.8 tp -135.68 136.35 40.83 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.119 0.485 . . . . 1.01 111.506 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -145.36 145.11 31.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.589 -0.732 . . . . 2.96 110.406 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.452 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -176.9 -172.35 41.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.213 -0.994 . . . . 0.17 113.383 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -142.01 138.65 32.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 1.92 110.442 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.495 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -139.79 168.88 18.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 1.05 111.258 -179.323 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.1 p -143.61 120.02 10.96 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.847 0.684 . . . . 1.04 112.847 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.484 ' CA ' HD13 ' B' ' 12' ' ' LEU . 15.3 t -108.94 147.18 32.63 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.856 -0.611 . . . . 1.01 109.44 178.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -108.73 119.17 38.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.516 0.198 . . . . 2.06 110.686 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.98 149.65 31.52 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.244 0.545 . . . . 1.05 111.87 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 t -50.4 -24.9 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.358 -0.837 . . . . 1.09 111.993 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -156.76 174.57 15.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.893 0.378 . . . . 1.3 111.42 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.402 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -59.26 -42.48 91.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 1.06 111.381 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 -54.97 31.03 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.942 -0.392 . . . . 1.1 109.942 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.7 p -50.34 -46.3 55.56 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.901 -0.778 . . . . 1.07 108.901 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.41 -53.54 57.15 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.702 -0.681 . . . . 1.1 109.204 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -51.98 -45.13 64.34 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 115.911 -0.586 . . . . 1.96 110.446 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -66.01 -49.45 67.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.865 -0.607 . . . . 2.56 110.301 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.9 t -54.01 -41.89 52.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.471 . . . . 1.15 109.913 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.491 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 57.3 t -63.16 -47.49 92.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.657 -0.702 . . . . 1.1 109.425 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -51.19 -43.17 61.3 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 116.323 -0.399 . . . . 2.6 110.493 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -61.14 -38.51 86.68 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.27 -0.641 . . . . 2.86 109.27 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.491 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 37.8 t80 -54.12 -60.84 2.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.248 -0.887 . . . . 0.32 110.195 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -69.06 -40.44 78.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.137 -0.938 . . . . 0.25 110.563 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -51.47 -38.23 52.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.543 0.687 . . . . 0.5 109.83 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.36 -23.91 17.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.8 -1.091 . . . . 1.18 112.453 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.456 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.9 m-20 -80.38 -46.63 15.71 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.418 -0.586 . . . . 0.2 109.418 178.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.66 -118.62 0.0 OUTLIER Glycine 0 C--N 1.333 0.366 0 CA-C-N 114.574 -1.193 . . . . 0.22 115.793 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.9 t -103.25 -2.06 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 114.911 1.449 . . . . 1.31 114.911 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -126.01 17.0 7.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 119.313 0.96 . . . . 1.57 111.692 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.17 167.0 54.08 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.618 -0.801 . . . . 0.49 113.196 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -95.28 99.78 11.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.908 0.385 . . . . 2.19 110.397 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.429 ' CD1' ' N ' ' A' ' 43' ' ' TRP . 7.6 m0 -99.25 120.72 40.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.84 112.24 -178.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.2 p -104.8 138.34 41.22 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.272 -0.64 . . . . 1.13 109.272 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -111.04 141.6 44.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.014 0.435 . . . . 0.81 112.036 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.46 81.99 1.96 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.687 -0.688 . . . . 1.24 110.327 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.89 -37.08 13.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 1.17 111.806 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.57 -30.58 8.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.446 -0.343 . . . . 1.21 111.908 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.1 p -128.09 14.21 6.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.717 -0.22 . . . . 1.28 111.508 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm 48.48 35.21 5.6 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.847 0.356 . . . . 2.89 110.375 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 98.7 m -122.19 143.26 49.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.146 0.498 . . . . 1.06 112.023 -178.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.7 m-85 -108.77 142.45 39.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.442 -0.799 . . . . 0.55 109.654 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -120.84 101.99 8.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.259 0.552 . . . . 1.06 112.196 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.0 t -81.98 109.32 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.326 -0.852 . . . . 1.15 109.219 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.625 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 22.6 m -103.55 117.33 34.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 1.22 112.12 -178.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.279 -0.867 . . . . 2.34 110.931 179.654 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.405 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 27.8 ttt . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.835 0.35 . . . . 2.18 111.167 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.405 ' N ' ' HG2' ' B' ' 1' ' ' MET . 54.3 tt0 -104.98 140.24 38.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 2.29 110.365 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.406 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 6.5 m-85 -126.54 145.73 50.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.915 0.388 . . . . 0.93 110.98 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 51' ' ' THR . 62.3 tttp -102.01 108.16 19.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.016 -0.538 . . . . 2.88 110.319 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.401 ' O ' HG21 ' B' ' 16' ' ' THR . 49.4 t -95.59 131.86 41.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.986 0.422 . . . . 1.08 111.157 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.424 HG13 ' CG2' ' A' ' 51' ' ' THR . 73.8 mt -107.68 118.57 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 1.15 110.859 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 15.5 mt -96.85 82.24 3.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.936 -0.575 . . . . 1.14 109.52 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.625 ' O ' ' HA ' ' A' ' 55' ' ' THR . 34.3 t-20 -94.12 109.55 21.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.485 -0.779 . . . . 2.09 112.362 -178.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.97 -166.96 13.65 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.724 . . . . 0.57 111.73 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -86.69 -58.16 2.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.065 0.459 . . . . 3.36 110.022 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 7.6 p -94.57 -5.4 45.97 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.679 -0.691 . . . . 1.06 110.716 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.495 HD11 ' OG1' ' A' ' 16' ' ' THR . 22.8 tp -135.67 136.28 40.8 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.099 0.476 . . . . 1.01 111.569 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -145.34 145.11 31.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.54 -0.754 . . . . 2.96 110.368 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -176.91 -172.34 41.42 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.101 -1.047 . . . . 0.17 113.362 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -142.03 138.71 31.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 1.92 110.456 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.495 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -139.79 168.76 19.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 1.05 111.272 -179.18 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 60.0 p -143.6 120.08 11.01 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.857 0.688 . . . . 1.04 112.857 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.481 ' CA ' HD13 ' A' ' 12' ' ' LEU . 15.3 t -108.95 147.14 32.7 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.803 -0.635 . . . . 1.01 109.479 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -108.71 119.17 38.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.521 0.201 . . . . 2.06 110.664 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.98 149.62 31.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.188 0.518 . . . . 1.05 111.939 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 t -50.47 -24.88 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.379 -0.828 . . . . 1.09 111.954 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -156.72 174.7 15.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.879 0.371 . . . . 1.3 111.438 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.406 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -59.39 -42.42 91.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 1.06 111.371 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.77 -54.99 30.68 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.943 -0.391 . . . . 1.1 109.943 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 51.4 p -50.34 -46.25 55.58 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.973 -0.751 . . . . 1.07 108.973 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.49 -53.48 57.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.685 -0.689 . . . . 1.1 109.204 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -52.09 -45.0 64.66 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.966 -0.561 . . . . 1.96 110.427 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -66.08 -49.44 67.58 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.927 -0.579 . . . . 2.56 110.251 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.09 -41.85 52.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.078 0.466 . . . . 1.15 109.888 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.489 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 57.9 t -63.03 -47.59 91.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.722 -0.672 . . . . 1.1 109.481 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -51.14 -43.15 61.14 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 116.26 -0.427 . . . . 2.6 110.496 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -61.15 -38.5 86.66 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.346 -0.613 . . . . 2.86 109.346 178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.489 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 37.8 t80 -54.16 -60.88 2.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.218 -0.901 . . . . 0.32 110.166 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -68.94 -40.51 78.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.231 -0.895 . . . . 0.25 110.595 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -51.54 -38.18 52.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.452 0.644 . . . . 0.5 109.818 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.4 -23.84 17.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.823 -1.08 . . . . 1.18 112.414 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.457 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.0 m-20 -80.49 -46.49 15.79 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.414 -0.588 . . . . 0.2 109.414 178.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.74 -118.56 0.0 OUTLIER Glycine 0 C--N 1.332 0.353 0 CA-C-N 114.622 -1.172 . . . . 0.22 115.786 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.9 t -103.25 -2.14 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 114.82 1.415 . . . . 1.31 114.82 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -125.94 16.89 7.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 119.378 0.99 . . . . 1.57 111.685 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.16 167.04 54.11 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.577 -0.82 . . . . 0.49 113.145 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -95.34 99.83 11.7 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.939 0.399 . . . . 2.19 110.414 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.431 ' CD1' ' N ' ' B' ' 43' ' ' TRP . 7.6 m0 -99.34 120.72 40.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.969 -0.559 . . . . 0.84 112.229 -178.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.0 p -104.81 138.44 41.07 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.271 -0.64 . . . . 1.13 109.271 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -111.12 141.66 44.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.037 0.446 . . . . 0.81 111.972 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.49 81.9 1.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.724 -0.671 . . . . 1.24 110.299 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.88 -37.03 13.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.225 -0.443 . . . . 1.17 111.842 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.6 -30.55 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.931 0.345 . . . . 1.21 111.931 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.5 p -128.13 14.28 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.741 -0.209 . . . . 1.28 111.48 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm 48.41 35.15 5.4 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.825 0.345 . . . . 2.89 110.422 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 98.8 m -122.16 143.24 49.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.147 0.499 . . . . 1.06 111.986 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' B' ' 52' ' ' PHE . 1.7 m-85 -108.66 142.47 39.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.408 -0.815 . . . . 0.55 109.708 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -120.92 102.07 8.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.269 0.556 . . . . 1.06 112.159 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -82.02 109.35 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.23 -0.895 . . . . 1.15 109.179 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.626 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 22.6 m -103.61 117.34 34.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.437 . . . . 1.22 112.14 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.309 -0.853 . . . . 2.34 110.955 179.715 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.745 0.307 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.452 ' CE2' ' CE ' ' B' ' 50' ' ' LYS . 51.4 m-85 -123.99 140.48 52.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.572 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -105.4 112.28 25.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.819 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.472 ' HB ' HG23 ' A' ' 16' ' ' THR . 59.8 t -97.39 136.16 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.164 0.507 . . . . 0.0 110.462 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.443 HG13 ' CG2' ' B' ' 51' ' ' THR . 74.6 mt -109.91 125.34 67.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.751 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.425 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.1 mt -103.8 91.12 3.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.14 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.748 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.4 m120 -98.63 106.56 18.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.297 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.1 -171.03 18.58 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.122 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -76.43 -56.08 4.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.991 0.424 . . . . 0.0 110.669 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.438 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 8.2 p -107.11 6.55 28.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.18 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.541 ' HB3' ' CD1' ' B' ' 33' ' ' PHE . 24.9 tp -138.06 137.89 38.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.1 0.476 . . . . 0.0 111.28 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HB3' ' NZ ' ' A' ' 13' ' ' LYS . 7.6 mtpm? -145.0 144.66 31.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.502 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -174.61 -177.03 43.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 119.984 -1.103 . . . . 0.0 113.266 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -137.94 139.12 39.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.819 0.342 . . . . 0.0 110.377 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.472 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -138.13 166.74 23.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.057 -179.592 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.8 p -143.8 122.65 12.7 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.499 ' CA ' HD13 ' B' ' 12' ' ' LEU . 12.4 t -106.9 140.77 39.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.23 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -99.77 108.93 21.36 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.46 148.58 36.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.24 0.543 . . . . 0.0 111.82 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.8 t -50.63 -26.11 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.02 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -158.29 175.91 13.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.913 0.387 . . . . 0.0 111.392 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.408 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -57.54 -42.29 82.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.595 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.83 -55.02 34.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.6 p -52.01 -46.02 64.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.71 -55.9 28.59 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.4 ' CG ' ' NZ ' ' A' ' 31' ' ' LYS . 88.8 tt0 -47.93 -49.21 30.91 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.658 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -60.44 -43.64 96.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.519 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.436 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 79.0 t -54.55 -40.54 50.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.512 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.527 ' CG1' ' CH2' ' B' ' 43' ' ' TRP . 29.4 t -62.46 -46.88 95.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 12.9 mptt -49.11 -50.55 36.64 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.167 178.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -63.81 -39.67 94.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.291 0.567 . . . . 0.0 109.493 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.544 ' CD1' ' HB3' ' B' ' 12' ' ' LEU . 52.9 t80 -54.0 -57.12 12.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.695 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.46 ' CD2' HG11 ' A' ' 30' ' ' VAL . 25.8 m-85 -75.49 -39.05 59.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.491 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -50.39 -37.94 40.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.411 0.624 . . . . 0.0 109.982 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -94.4 -24.99 17.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.052 -0.977 . . . . 0.0 112.739 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 90.1 m-20 -78.61 -46.33 19.54 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -2.72 -120.06 0.0 OUTLIER Glycine 0 C--N 1.332 0.347 0 CA-C-N 114.566 -1.197 . . . . 0.0 115.775 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.6 t -82.66 -55.39 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 -175.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -95.28 28.89 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -177.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.32 145.4 47.43 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 119.995 -1.098 . . . . 0.0 112.287 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -75.03 95.99 3.12 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.54 0.21 . . . . 0.0 110.442 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.524 ' CH2' ' CG1' ' B' ' 30' ' ' VAL . 7.4 m0 -108.76 131.54 54.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.6 p -106.51 139.24 41.3 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 177.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -111.44 139.47 46.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.004 0.431 . . . . 0.0 111.869 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -123.64 82.02 1.97 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.194 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.31 -36.33 20.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.39 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.82 -31.79 50.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.629 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.4 p -116.53 9.18 14.16 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.45 ' CE ' ' CE2' ' B' ' 3' ' ' TYR . 10.2 mmmm 48.96 36.69 8.81 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.677 0.275 . . . . 0.0 110.645 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.438 ' CG2' HG13 ' B' ' 6' ' ' ILE . 95.7 m -133.28 145.67 50.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.207 0.527 . . . . 0.0 111.811 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.2 m-85 -110.05 145.27 37.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.295 178.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -122.39 101.83 7.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.241 0.543 . . . . 0.0 111.821 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.461 HG13 ' CD1' ' A' ' 43' ' ' TRP . 73.4 t -82.98 116.51 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.927 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.736 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 5.8 m -112.57 121.69 45.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.947 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.838 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.471 ' HE1' ' CZ ' ' B' ' 3' ' ' TYR . 35.7 ttp . . . . . 0 N--CA 1.484 1.26 0 CA-C-O 120.785 0.326 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -96.9 131.22 43.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.156 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.471 ' CZ ' ' HE1' ' B' ' 1' ' ' MET . 51.2 m-85 -123.99 140.57 52.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.491 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -105.42 112.11 25.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.759 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.467 ' HB ' HG23 ' B' ' 16' ' ' THR . 59.9 t -97.3 136.19 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.071 0.462 . . . . 0.0 110.527 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.438 HG13 ' CG2' ' A' ' 51' ' ' THR . 75.0 mt -109.91 125.36 67.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.703 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 8.9 mt -103.82 91.14 3.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.183 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.736 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.4 m120 -98.73 106.65 18.94 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.285 -178.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.24 -171.0 18.48 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.302 -0.952 . . . . 0.0 112.145 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -76.4 -56.19 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.018 0.437 . . . . 0.0 110.551 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.436 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 8.1 p -107.09 6.64 29.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.265 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.544 ' HB3' ' CD1' ' A' ' 33' ' ' PHE . 24.8 tp -138.11 137.85 38.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.998 0.427 . . . . 0.0 111.261 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.442 ' NZ ' ' HB3' ' B' ' 13' ' ' LYS . 7.6 mtpm? -144.9 144.7 31.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.456 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.471 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -174.6 -176.92 43.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.304 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -138.02 139.16 39.47 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.883 0.373 . . . . 0.0 110.339 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.468 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -138.24 166.77 23.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.079 -179.653 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 64.0 p -143.76 122.64 12.72 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.497 ' CA ' HD13 ' A' ' 12' ' ' LEU . 12.5 t -106.84 140.85 39.01 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.324 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -99.75 108.94 21.39 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.44 148.68 36.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.138 0.494 . . . . 0.0 111.823 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 t -50.8 -26.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.921 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -158.29 175.81 13.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.883 0.373 . . . . 0.0 111.376 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.402 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -57.45 -42.3 82.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.628 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.76 -55.2 32.67 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 41.4 p -51.93 -46.0 64.51 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.65 -56.01 27.3 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -47.87 -49.19 30.31 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.735 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -60.53 -43.56 97.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.57 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.438 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 79.6 t -54.58 -40.5 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.633 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.524 ' CG1' ' CH2' ' A' ' 43' ' ' TRP . 29.0 t -62.32 -47.11 94.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.564 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.404 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 12.9 mptt -48.86 -50.58 34.08 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.318 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -63.89 -39.65 94.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.291 0.567 . . . . 0.0 109.499 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.541 ' CD1' ' HB3' ' A' ' 12' ' ' LEU . 52.4 t80 -54.01 -57.03 12.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.74 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.46 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 25.8 m-85 -75.68 -38.94 58.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.448 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -50.43 -38.03 41.16 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.384 0.611 . . . . 0.0 109.898 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -94.37 -24.93 17.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.788 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 90.0 m-20 -78.65 -46.43 19.2 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -2.65 -120.06 0.0 OUTLIER Glycine 0 C--N 1.333 0.385 0 CA-C-N 114.688 -1.142 . . . . 0.0 115.778 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.65 -55.38 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 -175.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -95.3 28.84 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -177.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.37 145.42 47.39 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 119.895 -1.145 . . . . 0.0 112.376 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -74.99 95.93 3.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.74 0.305 . . . . 0.0 110.434 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.527 ' CH2' ' CG1' ' A' ' 30' ' ' VAL . 7.4 m0 -108.73 131.5 54.88 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.5 p -106.43 139.25 41.2 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -111.52 139.47 46.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.998 0.428 . . . . 0.0 111.851 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -123.63 81.89 1.95 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.246 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.12 -36.46 19.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.879 0.371 . . . . 0.0 111.336 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.65 -31.87 49.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.674 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 63.5 p -116.46 9.01 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.452 ' CE ' ' CE2' ' A' ' 3' ' ' TYR . 10.2 mmmm 48.92 36.85 8.97 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.829 0.347 . . . . 0.0 110.685 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.443 ' CG2' HG13 ' A' ' 6' ' ' ILE . 95.6 m -133.36 145.62 50.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.124 0.488 . . . . 0.0 111.856 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' B' ' 52' ' ' PHE . 1.3 m-85 -110.07 145.31 37.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.266 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -122.35 101.86 7.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.236 0.541 . . . . 0.0 111.87 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' B' ' 43' ' ' TRP . 69.5 t -82.82 116.41 26.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.015 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.748 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 5.7 m -112.51 121.66 45.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.84 0.352 . . . . 0.0 111.011 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.856 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.786 0.327 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.438 ' CE2' ' HE2' ' B' ' 50' ' ' LYS . 8.0 m-85 -115.36 145.9 42.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.01 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -98.63 107.86 20.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.478 ' O ' HG23 ' A' ' 16' ' ' THR . 59.4 t -97.65 120.42 46.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' B' ' 53' ' ' THR . 65.3 mt -101.5 117.02 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.81 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.437 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.5 mt -97.72 87.2 3.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.608 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.5 t-20 -98.08 107.49 19.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.125 -177.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.4 -167.8 14.86 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.441 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.43 ' N ' ' HE2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -77.89 -57.05 4.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.891 0.376 . . . . 0.0 110.822 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.428 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 7.1 p -106.01 5.55 30.45 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.248 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.486 ' HB3' ' CD1' ' B' ' 33' ' ' PHE . 23.9 tp -136.86 136.99 39.22 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.112 0.482 . . . . 0.0 111.443 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.425 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 1.8 mppt? -144.45 144.68 31.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.095 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.474 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -176.12 -172.42 40.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.053 -1.07 . . . . 0.0 113.416 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -142.84 134.91 27.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.941 0.401 . . . . 0.0 110.606 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -136.28 167.67 20.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.142 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.8 p -143.44 122.27 12.69 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.48 ' CA ' HD13 ' B' ' 12' ' ' LEU . 14.1 t -110.52 147.4 34.21 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.782 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -109.22 120.7 43.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.603 0.239 . . . . 0.0 110.575 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.07 150.29 32.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.161 0.505 . . . . 0.0 111.992 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 t -51.07 -27.11 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.811 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -154.82 176.28 12.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 111.355 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.409 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -60.23 -43.14 96.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.494 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.61 -56.36 20.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.0 p -50.15 -46.01 53.7 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.45 -53.72 54.87 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.436 ' OE1' ' CE3' ' B' ' 43' ' ' TRP . 4.8 tp10 -49.91 -47.83 51.99 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.483 178.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -62.84 -45.03 94.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.278 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.429 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 87.3 t -55.33 -42.43 66.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.262 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.533 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 60.8 t -64.68 -48.36 85.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 57.6 mttp -53.38 -44.15 68.4 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.676 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -62.21 -39.1 91.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.47 0.652 . . . . 0.0 109.281 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.533 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 56.6 t80 -52.74 -63.31 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.007 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -66.88 -38.12 85.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.625 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 27.4 t-20 -52.41 -38.4 58.96 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.443 0.639 . . . . 0.0 109.919 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.95 -23.75 17.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.175 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.501 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.5 m-20 -81.59 -46.47 14.37 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.254 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.55 -113.97 0.0 OUTLIER Glycine 0 CA--C 1.521 0.466 0 CA-C-N 115.011 -0.995 . . . . 0.0 115.358 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.418 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 21.5 t -111.09 5.27 8.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -176.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -125.38 10.93 8.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.664 -0.648 . . . . 0.0 112.089 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.51 170.61 53.53 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.577 -0.821 . . . . 0.0 113.425 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -97.65 104.26 16.27 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.438 ' CE3' ' OE1' ' B' ' 27' ' ' GLU . 9.4 m0 -102.62 123.79 46.99 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.8 p -108.58 138.03 45.56 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 18.3 t80 -114.09 144.55 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.078 0.466 . . . . 0.0 111.973 -178.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.71 83.62 2.16 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.198 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.3 -36.61 21.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.629 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.95 -29.26 8.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.838 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.1 p -128.16 12.05 6.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.611 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HE2' ' CE2' ' B' ' 3' ' ' TYR . 14.2 mmmm 49.31 33.05 4.87 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.843 0.354 . . . . 0.0 110.215 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.417 HG21 ' N ' ' A' ' 52' ' ' PHE . 94.2 m -117.8 144.14 45.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.381 -178.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.508 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.1 m-85 -115.65 141.85 47.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.407 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -118.84 123.64 45.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.108 0.48 . . . . 0.0 111.181 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.9 t -102.77 107.15 21.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.897 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.608 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 17.0 m -99.68 113.19 25.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.932 0.396 . . . . 0.0 111.446 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.828 -179.864 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' B' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.649 0.261 . . . . 0.0 110.4 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.402 ' O ' ' SD ' ' B' ' 1' ' ' MET . 8.3 tt0 -101.27 132.71 46.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.539 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.44 ' CE2' ' HE2' ' A' ' 50' ' ' LYS . 8.2 m-85 -115.45 145.93 42.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.97 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -98.62 107.9 20.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.795 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.481 ' O ' HG23 ' B' ' 16' ' ' THR . 59.7 t -97.7 120.41 46.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.052 0.453 . . . . 0.0 110.757 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 65.7 mt -101.34 116.97 45.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.884 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mt -97.74 87.25 3.99 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.608 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.4 t-20 -97.99 107.48 19.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.203 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.39 -167.8 14.87 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.371 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.431 ' N ' ' HE2' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -77.9 -57.05 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.855 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.429 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 7.0 p -105.95 5.39 30.44 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.199 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.482 ' HB3' ' CD1' ' A' ' 33' ' ' PHE . 23.9 tp -136.9 136.94 39.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.181 0.515 . . . . 0.0 111.485 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.417 ' HD3' ' N ' ' B' ' 13' ' ' LYS . 1.9 mppt? -144.35 144.66 31.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.094 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.477 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -176.1 -172.31 40.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 119.99 -1.1 . . . . 0.0 113.349 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -142.85 134.91 27.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.653 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.481 HG23 ' O ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -136.35 167.66 20.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.12 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -143.46 122.4 12.77 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.476 ' CA ' HD13 ' A' ' 12' ' ' LEU . 14.0 t -110.49 147.45 34.07 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.819 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -109.25 120.67 43.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.607 0.242 . . . . 0.0 110.582 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.98 150.41 32.81 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.215 0.531 . . . . 0.0 111.979 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 t -51.1 -27.06 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.863 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -154.88 176.34 12.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 111.361 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.409 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.35 -43.06 96.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.433 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -56.36 20.58 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 56.5 p -50.23 -45.91 54.34 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.59 -53.67 55.4 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.438 ' OE1' ' CE3' ' A' ' 43' ' ' TRP . 4.8 tp10 -49.9 -47.95 51.87 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.488 178.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -62.59 -45.25 93.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.196 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.428 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 87.7 t -55.23 -42.4 65.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.313 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.536 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 60.7 t -64.69 -48.44 84.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.302 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -53.41 -44.18 68.52 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.619 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -62.2 -39.17 91.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.536 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 56.4 t80 -52.66 -63.29 1.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.139 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -66.82 -38.03 85.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.719 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -52.56 -38.38 59.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.415 0.626 . . . . 0.0 109.91 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.9 -23.73 17.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.241 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.5 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.6 m-20 -81.51 -46.49 14.43 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.961 0.41 . . . . 0.0 110.299 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.67 -113.78 0.0 OUTLIER Glycine 0 CA--C 1.521 0.454 0 CA-C-N 115.03 -0.986 . . . . 0.0 115.34 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.418 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 21.5 t -111.15 5.15 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -176.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -125.3 10.85 8.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.681 -0.637 . . . . 0.0 112.037 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.27 170.51 53.64 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.486 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -97.61 104.27 16.28 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.436 ' CE3' ' OE1' ' A' ' 27' ' ' GLU . 9.4 m0 -102.77 123.88 47.27 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.756 0.651 . . . . 0.0 112.756 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 75.3 p -108.58 137.91 45.76 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 18.5 t80 -113.96 144.51 42.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.039 0.447 . . . . 0.0 112.117 -178.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.68 83.71 2.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.212 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.4 -36.69 22.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.497 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.89 -29.29 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.908 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 82.5 p -128.16 12.14 6.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.568 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.438 ' HE2' ' CE2' ' A' ' 3' ' ' TYR . 14.2 mmmm 49.25 33.12 4.83 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.852 0.358 . . . . 0.0 110.274 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.416 HG21 ' N ' ' B' ' 52' ' ' PHE . 94.6 m -117.89 144.16 45.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.3 -178.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.507 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 2.1 m-85 -115.59 141.83 47.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.465 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -118.68 123.63 45.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.06 0.457 . . . . 0.0 111.188 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.5 t -102.73 107.06 21.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.963 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.608 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 17.1 m -99.58 113.21 25.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.922 0.391 . . . . 0.0 111.402 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.914 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.754 0.311 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.439 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 5.5 m-85 -125.5 146.07 49.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.51 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 15' ' ' GLU . 48.2 tttm -106.85 108.23 19.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.391 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.507 ' HB ' HG21 ' A' ' 16' ' ' THR . 57.9 t -94.66 116.78 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.423 0.63 . . . . 0.0 111.197 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' B' ' 53' ' ' THR . 87.9 mt -94.88 131.78 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.809 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mt -112.43 105.87 14.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.728 -179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.526 ' O ' ' HA ' ' B' ' 55' ' ' THR . 5.4 m120 -110.98 109.95 20.3 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.43 -168.27 15.45 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.414 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -76.36 -55.72 5.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.914 0.388 . . . . 0.0 110.763 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.439 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 7.0 p -108.32 7.44 27.21 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.27 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.513 HD12 ' CA ' ' B' ' 18' ' ' THR . 27.4 tp -139.05 138.07 36.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.158 0.504 . . . . 0.0 111.617 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 7.2 mptt -144.86 145.98 31.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.248 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.58 -167.68 37.73 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.213 -0.994 . . . . 0.0 112.91 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.419 ' HB3' ' NZ ' ' A' ' 4' ' ' LYS . 38.7 mt-10 -150.33 146.4 26.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.931 0.396 . . . . 0.0 110.593 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.507 HG21 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -141.99 169.89 16.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.964 -179.02 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.0 p -141.66 119.91 12.22 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.516 ' CA ' HD12 ' B' ' 12' ' ' LEU . 13.5 t -106.9 142.68 36.15 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.998 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -102.05 112.22 24.79 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.02 149.97 35.13 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.427 0.632 . . . . 0.0 112.023 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.99 -27.23 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.125 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -155.26 176.91 11.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.856 0.36 . . . . 0.0 111.586 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.439 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -60.95 -42.96 99.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.314 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.91 -54.58 40.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.8 p -52.22 -45.98 65.48 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.91 -54.85 41.27 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.432 ' OE2' ' HG3' ' A' ' 31' ' ' LYS . 3.7 tm-20 -48.29 -49.34 34.15 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.472 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 4.3 mmmp? -62.31 -43.57 98.52 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.2 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.437 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 88.5 t -55.51 -39.59 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.134 0.492 . . . . 0.0 109.855 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.514 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 61.0 t -65.89 -49.14 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.436 178.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' HG3' ' OE2' ' A' ' 27' ' ' GLU . 86.0 mttt -52.37 -43.88 64.94 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.805 178.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -63.82 -38.61 91.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.514 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 49.7 t80 -53.56 -61.27 2.41 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.158 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.423 ' CE2' HG13 ' A' ' 30' ' ' VAL . 26.9 m-85 -68.52 -39.35 81.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.96 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -50.86 -38.81 51.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.383 0.611 . . . . 0.0 110.098 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -94.49 -23.53 17.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.021 -0.99 . . . . 0.0 112.44 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.471 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.5 m-20 -79.72 -46.28 17.36 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.561 -0.456 . . . . 0.0 109.808 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.06 -116.32 0.0 OUTLIER Glycine 0 C--N 1.333 0.383 0 CA-C-N 114.924 -1.034 . . . . 0.0 115.455 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.414 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 21.7 t -109.56 3.77 9.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -176.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.7 12.68 7.98 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.605 0.639 . . . . 0.0 111.955 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.12 169.5 54.03 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.57 -0.824 . . . . 0.0 113.334 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -93.36 99.59 12.08 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.834 0.35 . . . . 0.0 110.198 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.412 ' CZ3' HG11 ' B' ' 30' ' ' VAL . 11.9 m0 -99.67 121.33 41.07 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -178.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.8 p -110.13 137.68 47.54 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.503 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 7.6 t80 -112.64 144.17 42.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 111.727 -178.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -123.53 83.21 2.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.653 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 15.8 m-20 -46.8 -35.07 5.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.581 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.94 -31.92 13.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.1 p -128.15 14.5 6.75 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm 48.56 36.29 7.29 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.623 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.438 ' CG2' HG13 ' B' ' 6' ' ' ILE . 94.5 m -124.05 140.57 52.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.406 -178.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 28.0 m-85 -108.23 142.09 39.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.536 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -117.22 122.98 45.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.139 0.495 . . . . 0.0 111.338 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.9 t -99.33 94.81 3.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.618 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.528 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 9.6 m -85.75 108.31 18.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.082 0.468 . . . . 0.0 111.581 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.232 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.422 ' HE3' ' CZ ' ' B' ' 3' ' ' TYR . 50.7 ttp . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.752 0.311 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -101.87 141.01 35.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.391 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.43 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 5.2 m-85 -125.61 146.13 49.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.539 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.415 ' NZ ' ' OE1' ' B' ' 15' ' ' GLU . 48.2 tttm -106.94 108.17 19.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.305 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.509 ' HB ' HG21 ' B' ' 16' ' ' THR . 57.6 t -94.62 116.93 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.335 0.588 . . . . 0.0 111.261 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 53' ' ' THR . 87.6 mt -95.05 131.8 40.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.756 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mt -112.42 105.78 14.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.733 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.528 ' O ' ' HA ' ' A' ' 55' ' ' THR . 5.4 m120 -110.99 109.87 20.19 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.37 -168.22 15.46 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.489 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -76.36 -55.78 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 0.0 110.691 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.437 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 7.2 p -108.23 7.31 27.33 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.291 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.516 HD12 ' CA ' ' A' ' 18' ' ' THR . 27.5 tp -138.94 138.19 37.11 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.111 0.481 . . . . 0.0 111.719 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.403 ' HD2' ' C ' ' B' ' 12' ' ' LEU . 7.2 mptt -144.96 145.79 31.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.25 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.449 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.64 -167.64 37.64 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.298 -0.954 . . . . 0.0 112.965 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.415 ' OE1' ' NZ ' ' B' ' 4' ' ' LYS . 38.9 mt-10 -150.33 146.47 26.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.969 0.414 . . . . 0.0 110.568 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.509 HG21 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -142.07 169.85 16.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.005 -178.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 48.9 p -141.63 119.97 12.28 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.513 ' CA ' HD12 ' A' ' 12' ' ' LEU . 13.5 t -106.93 142.55 36.37 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.06 178.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -101.96 112.34 24.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.95 149.99 35.23 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 121.259 0.552 . . . . 0.0 112.061 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -51.07 -27.1 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.111 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -155.38 176.87 12.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.885 0.374 . . . . 0.0 111.481 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.43 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.88 -42.91 98.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.379 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.96 -54.68 38.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 61.8 p -52.22 -45.88 65.44 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.06 -54.75 42.24 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.436 ' OE2' ' HG3' ' B' ' 31' ' ' LYS . 3.7 tm-20 -48.31 -49.34 34.37 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.427 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.454 ' NZ ' ' HB3' ' B' ' 28' ' ' LYS . 4.2 mmmp? -62.33 -43.66 98.31 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.122 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.439 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 87.4 t -55.49 -39.59 54.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.117 0.484 . . . . 0.0 109.844 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.515 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 59.3 t -65.77 -49.26 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.475 178.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.436 ' HG3' ' OE2' ' B' ' 27' ' ' GLU . 86.0 mttt -52.23 -44.03 64.62 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.745 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -63.79 -38.55 91.51 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.515 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 50.1 t80 -53.57 -61.19 2.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.188 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.425 ' CE2' HG13 ' B' ' 30' ' ' VAL . 26.9 m-85 -68.7 -39.25 80.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.946 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.402 ' ND2' HG21 ' A' ' 39' ' ' VAL . 25.7 t-20 -50.81 -39.0 51.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.313 0.578 . . . . 0.0 110.058 178.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -94.28 -23.56 17.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.435 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.473 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.5 m-20 -79.77 -46.26 17.32 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.13 -116.3 0.0 OUTLIER Glycine 0 CA--C 1.52 0.392 0 CA-C-N 114.926 -1.034 . . . . 0.0 115.457 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.409 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 21.7 t -109.49 3.58 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -176.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.5 12.61 8.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 118.54 0.609 . . . . 0.0 111.95 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.1 169.39 53.99 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.323 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -93.34 99.44 11.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.111 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.408 ' CZ3' HG11 ' A' ' 30' ' ' VAL . 11.9 m0 -99.48 121.35 41.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -110.05 137.72 47.43 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 7.5 t80 -112.74 144.16 42.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.969 0.414 . . . . 0.0 111.67 -178.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -123.48 83.27 2.11 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.627 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.433 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 15.7 m-20 -46.71 -35.14 5.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.564 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.96 -31.86 13.58 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.9 p -128.11 14.44 6.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm 48.5 36.36 7.27 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 110.592 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.437 ' CG2' HG13 ' A' ' 6' ' ' ILE . 93.7 m -124.02 140.48 52.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.517 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.499 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 27.8 m-85 -108.22 142.08 39.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.509 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -117.16 123.15 46.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.107 0.48 . . . . 0.0 111.314 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.9 t -99.46 94.81 3.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.575 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.526 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 9.5 m -85.74 108.23 17.97 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.592 -178.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.226 -0.893 . . . . 0.0 111.106 179.907 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.962 0.41 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.455 ' CE2' ' CE ' ' B' ' 50' ' ' LYS . 7.2 m-85 -130.95 149.56 52.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.67 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -98.83 108.52 21.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.456 ' HB ' HG23 ' A' ' 16' ' ' THR . 60.9 t -96.15 128.03 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.905 0.384 . . . . 0.0 110.383 179.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.414 HG13 ' CG2' ' B' ' 51' ' ' THR . 71.8 mt -108.69 127.66 65.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.328 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.5 mt -107.44 95.55 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.284 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.745 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.3 m120 -103.24 107.95 18.97 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.194 -179.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.82 -169.54 16.89 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.281 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -78.01 -57.4 3.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.038 0.447 . . . . 0.0 110.573 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.42 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 4.0 p -104.53 4.33 32.89 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.198 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.507 HD11 ' CA ' ' B' ' 18' ' ' THR . 24.0 tp -137.22 137.14 38.79 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.992 0.425 . . . . 0.0 111.199 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -145.19 146.0 31.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.455 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.87 -169.06 39.75 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.075 -1.059 . . . . 0.0 113.21 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -143.52 153.37 42.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 0.0 110.739 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.482 ' HA ' ' HA3' ' B' ' 14' ' ' GLY . 0.0 OUTLIER -150.95 168.79 23.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.034 -179.601 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.5 p -143.26 121.19 12.02 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.516 ' CA ' HD11 ' B' ' 12' ' ' LEU . 14.2 t -107.79 142.65 37.5 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.94 178.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -103.18 115.75 31.18 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.84 151.27 34.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.261 0.553 . . . . 0.0 111.93 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.1 t -50.63 -25.44 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.946 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.409 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 57.5 p30 -158.71 175.68 13.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.791 0.329 . . . . 0.0 111.505 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.36 -43.0 83.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.754 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.04 -56.13 22.16 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.409 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 50.2 p -51.07 -45.77 61.52 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.9 -52.74 64.11 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 44.7 tt0 -52.78 -49.24 65.96 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.785 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -59.43 -43.0 93.19 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.693 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.421 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 98.2 t -56.37 -38.86 57.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.112 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 38.5 t -65.17 -48.44 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.693 179.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 1.1 mptm? -50.16 -44.79 52.86 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.746 0.308 . . . . 0.0 110.401 178.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -66.44 -39.38 88.85 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.499 ' CD2' ' ND2' ' A' ' 37' ' ' ASN . 66.3 t80 -53.45 -59.59 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.482 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.439 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 28.8 m-85 -71.23 -39.17 71.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.225 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -51.0 -38.54 51.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.432 0.634 . . . . 0.0 109.799 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.31 -25.7 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.815 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.499 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.6 m-20 -78.74 -45.56 20.89 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -3.67 -117.18 0.0 OUTLIER Glycine 0 CA--C 1.521 0.409 0 CA-C-N 114.575 -1.193 . . . . 0.0 115.719 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.1 t -83.77 -55.51 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 -175.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -91.55 27.24 2.05 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -177.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.69 144.08 46.4 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 119.997 -1.097 . . . . 0.0 112.325 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -73.7 91.74 1.92 Allowed 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.469 ' CH2' ' CG1' ' B' ' 30' ' ' VAL . 11.8 m0 -106.12 132.21 52.46 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -112.56 141.97 45.69 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.436 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 6.1 t80 -111.1 142.0 43.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.987 0.422 . . . . 0.0 111.544 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -123.32 83.21 2.1 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.608 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.42 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 14.0 m-20 -48.22 -37.14 15.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.352 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.49 -32.26 17.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.952 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.3 p -122.7 12.41 9.89 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' CE ' ' CE2' ' B' ' 3' ' ' TYR . 7.2 mmmm 49.76 34.94 8.13 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.707 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.415 ' CG2' HG13 ' B' ' 6' ' ' ILE . 94.9 m -125.73 144.11 50.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.111 0.482 . . . . 0.0 111.953 -178.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.9 m-85 -110.37 144.52 39.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.502 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -122.14 124.45 43.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.343 0.592 . . . . 0.0 111.871 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.405 HG22 ' CD2' ' A' ' 43' ' ' TRP . 61.5 t -104.59 113.05 40.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.72 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.737 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 3.2 m -108.61 119.39 39.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.097 0.475 . . . . 0.0 111.512 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.994 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.45 ' HE3' ' NZ ' ' A' ' 50' ' ' LYS . 18.1 ttt . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 120.649 0.261 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -111.97 148.71 33.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.984 0.421 . . . . 0.0 111.251 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.453 ' CE2' ' CE ' ' A' ' 50' ' ' LYS . 7.0 m-85 -131.03 149.67 52.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.723 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 51' ' ' THR . 17.5 tppt? -99.0 108.59 21.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.456 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.3 t -96.31 128.07 47.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.987 0.423 . . . . 0.0 110.257 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.415 HG13 ' CG2' ' A' ' 51' ' ' THR . 72.0 mt -108.8 127.64 65.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.264 -179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.5 mt -107.46 95.47 5.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.254 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.737 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.3 m120 -103.17 107.98 19.0 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.201 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.86 -169.5 16.85 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.335 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -78.07 -57.35 3.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.966 0.412 . . . . 0.0 110.582 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.421 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 4.0 p -104.58 4.37 32.79 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.242 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.516 HD11 ' CA ' ' A' ' 18' ' ' THR . 24.0 tp -137.28 137.16 38.7 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.126 0.489 . . . . 0.0 111.17 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -145.2 145.92 31.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.49 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.482 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.78 -169.04 39.77 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.082 -1.056 . . . . 0.0 113.26 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -143.56 153.3 42.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.606 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.479 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -150.88 168.87 23.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.126 -179.69 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 75.6 p -143.35 121.14 11.92 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.507 ' CA ' HD11 ' A' ' 12' ' ' LEU . 14.3 t -107.8 142.64 37.52 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.879 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -103.17 115.79 31.25 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.85 151.19 34.3 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.177 0.513 . . . . 0.0 112.028 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 30.8 t -50.59 -25.52 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.996 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.415 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 57.6 p30 -158.64 175.7 13.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.815 0.34 . . . . 0.0 111.481 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.34 -42.9 82.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.823 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 -56.09 22.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.415 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 51.1 p -50.96 -45.95 60.95 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.74 -52.82 63.84 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.065 -0.716 . . . . 0.0 109.065 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.464 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 44.7 tt0 -52.64 -49.34 65.37 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.783 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -59.53 -42.92 93.4 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.42 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 98.0 t -56.42 -38.87 57.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.138 179.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.469 ' CG1' ' CH2' ' A' ' 43' ' ' TRP . 38.4 t -65.2 -48.35 83.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.688 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.464 ' HD3' ' O ' ' B' ' 27' ' ' GLU . 1.1 mptm? -50.19 -44.8 53.16 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.844 0.354 . . . . 0.0 110.445 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -66.45 -39.3 88.79 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.499 ' CD2' ' ND2' ' B' ' 37' ' ' ASN . 66.1 t80 -53.49 -59.56 4.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.501 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.44 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 28.7 m-85 -71.3 -39.11 71.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.207 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -50.89 -38.61 50.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.387 0.613 . . . . 0.0 109.896 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.28 -25.67 16.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.825 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.499 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.7 m-20 -78.87 -45.26 21.06 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -3.78 -117.27 0.0 OUTLIER Glycine 0 C--N 1.333 0.404 0 CA-C-N 114.624 -1.171 . . . . 0.0 115.746 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 88.2 t -83.57 -55.6 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 -175.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -91.62 27.22 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.54 144.11 46.68 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.032 -1.08 . . . . 0.0 112.374 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -73.86 91.68 1.99 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.461 ' CH2' ' CG1' ' A' ' 30' ' ' VAL . 11.9 m0 -106.06 132.21 52.42 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 72.2 p -112.53 141.85 45.8 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.433 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 6.1 t80 -110.89 142.01 43.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 111.661 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -123.36 83.18 2.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.661 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.423 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 14.2 m-20 -48.3 -37.02 15.37 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.3 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.58 -32.22 18.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.008 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.5 p -122.68 12.44 9.91 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.455 ' CE ' ' CE2' ' A' ' 3' ' ' TYR . 7.2 mmmm 49.87 34.86 8.32 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.744 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.414 ' CG2' HG13 ' A' ' 6' ' ' ILE . 94.2 m -125.69 143.94 50.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.119 0.485 . . . . 0.0 111.927 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' B' ' 52' ' ' PHE . 1.9 m-85 -110.26 144.44 38.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.638 178.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -122.11 124.58 44.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.358 0.599 . . . . 0.0 111.723 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.407 HG22 ' CD2' ' B' ' 43' ' ' TRP . 61.1 t -104.6 113.2 40.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.666 178.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.745 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 3.2 m -108.67 119.39 39.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.033 0.444 . . . . 0.0 111.52 -178.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.025 -179.844 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -124.51 146.38 49.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.127 0.489 . . . . 0.0 111.735 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' B' ' 51' ' ' THR . 17.6 tppt? -98.95 104.87 16.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.565 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.562 ' HB ' HG21 ' A' ' 16' ' ' THR . 73.8 t -94.54 112.12 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.448 0.642 . . . . 0.0 110.749 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' B' ' 53' ' ' THR . 68.1 mt -94.83 128.77 45.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.615 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.439 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 15.2 mt -110.02 105.31 14.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.126 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.72 ' O ' ' HA ' ' B' ' 55' ' ' THR . 5.3 m120 -109.27 108.77 19.49 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.42 -171.26 17.76 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.816 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -77.18 -52.47 9.19 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.959 0.409 . . . . 0.0 110.308 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.48 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 7.8 p -108.12 5.24 25.76 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.453 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.491 HD13 ' CA ' ' B' ' 18' ' ' THR . 24.3 tp -137.41 138.33 39.73 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.093 0.473 . . . . 0.0 111.625 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.43 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 1.9 mppt? -143.9 143.16 31.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.922 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.67 -176.73 44.15 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 119.989 -1.1 . . . . 0.0 113.586 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -139.23 137.1 35.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.826 0.346 . . . . 0.0 110.131 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.562 HG21 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -137.12 167.64 21.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.408 ' CG2' ' NZ ' ' A' ' 4' ' ' LYS . 73.2 p -143.69 119.85 10.79 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -178.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.501 ' CA ' HD13 ' B' ' 12' ' ' LEU . 12.6 t -107.65 145.24 33.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.529 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -105.86 116.72 32.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.08 152.29 35.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.312 0.577 . . . . 0.0 111.887 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.2 t -51.22 -37.78 18.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.018 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.451 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 5.8 p-10 -144.35 170.52 15.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.838 0.351 . . . . 0.0 111.594 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.3 -42.05 85.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.126 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.14 -55.95 20.89 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.451 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 26.0 p -52.82 -43.93 66.32 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.87 -52.46 64.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -50.49 -47.69 57.11 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.347 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -62.76 -45.65 91.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.069 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.482 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 87.3 t -58.41 -39.77 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.03 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.551 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 45.6 t -68.18 -50.0 62.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HA ' ' CH2' ' B' ' 43' ' ' TRP . 29.2 mtpp -51.45 -43.19 62.01 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.53 -36.6 76.44 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.551 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 49.9 t80 -53.82 -63.43 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.115 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -67.71 -39.73 84.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.702 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.436 ' ND2' HG21 ' B' ' 39' ' ' VAL . 34.6 t-20 -49.79 -39.2 37.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.539 0.685 . . . . 0.0 109.663 178.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -94.62 -24.14 17.32 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.858 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.492 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.1 m-20 -79.28 -43.03 24.47 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.035 0.445 . . . . 0.0 110.515 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.44 -114.76 0.0 OUTLIER Glycine 0 CA--C 1.521 0.435 0 CA-C-N 114.746 -1.116 . . . . 0.0 115.491 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.432 HG21 ' ND2' ' B' ' 35' ' ' ASN . 71.7 t -86.05 -55.18 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 -175.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -87.87 25.09 1.6 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.85 165.31 52.9 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 119.611 -1.281 . . . . 0.0 111.417 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -88.66 93.18 9.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.343 0.572 . . . . 0.0 110.619 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.404 ' CH2' ' HA ' ' B' ' 31' ' ' LYS . 11.5 m95 -93.97 114.4 26.59 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.2 p -109.34 138.21 46.04 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.514 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 8.7 t80 -113.43 144.01 43.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 111.812 -178.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -123.58 83.84 2.19 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.468 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.415 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 12.6 m-20 -45.68 -35.37 4.12 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.723 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.04 -34.27 20.9 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.1 p -128.2 13.72 6.68 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp 51.69 30.38 6.69 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.881 0.372 . . . . 0.0 110.254 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 95.4 m -113.02 148.75 34.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.925 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.514 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 2.7 m-85 -120.04 139.0 53.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.469 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 3.0 p -115.38 123.22 48.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.136 0.493 . . . . 0.0 111.062 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -105.56 106.71 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.677 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.713 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 36.8 m -100.36 116.31 32.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.76 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.856 -179.277 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 88.8 mtp . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 121.049 0.452 . . . . 0.0 111.744 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -102.47 140.51 36.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.34 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -124.61 146.36 49.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.183 0.516 . . . . 0.0 111.564 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 51' ' ' THR . 17.6 tppt? -98.92 104.92 17.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.528 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.571 ' HB ' HG21 ' B' ' 16' ' ' THR . 73.0 t -94.53 112.13 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.379 0.609 . . . . 0.0 110.721 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' A' ' 53' ' ' THR . 68.5 mt -94.88 128.76 45.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.683 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 15.2 mt -109.95 105.29 14.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.237 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.713 ' O ' ' HA ' ' A' ' 55' ' ' THR . 5.4 m120 -109.18 108.7 19.44 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.41 -171.25 17.76 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.334 -0.936 . . . . 0.0 111.784 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -77.1 -52.6 9.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.952 0.406 . . . . 0.0 110.343 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.482 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 7.8 p -107.97 5.32 26.12 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.518 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.501 HD13 ' CA ' ' A' ' 18' ' ' THR . 24.2 tp -137.45 138.19 39.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.145 0.497 . . . . 0.0 111.714 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' B' ' 13' ' ' LYS . 1.9 mppt? -143.85 143.08 31.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.93 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.457 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.63 -176.74 44.12 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 119.979 -1.105 . . . . 0.0 113.436 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -139.15 137.05 35.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.777 0.322 . . . . 0.0 110.175 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.571 HG21 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -137.11 167.62 21.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.403 ' CG2' ' NZ ' ' B' ' 4' ' ' LYS . 73.2 p -143.72 119.94 10.83 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.491 ' CA ' HD13 ' A' ' 12' ' ' LEU . 12.7 t -107.7 145.24 33.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.481 178.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -105.95 116.63 32.27 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.94 152.18 35.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.289 0.566 . . . . 0.0 112.0 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -51.12 -37.7 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.102 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.447 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 5.7 p-10 -144.45 170.45 16.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.977 0.418 . . . . 0.0 111.522 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.23 -42.04 85.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.227 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.1 -55.87 21.68 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.447 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 26.5 p -52.96 -43.97 66.78 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.73 -52.46 65.03 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -50.65 -47.66 58.52 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.281 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -62.66 -45.67 91.75 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.068 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.48 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 86.4 t -58.47 -39.65 75.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.127 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.547 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 45.7 t -68.21 -50.08 61.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.404 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . 29.2 mtpp -51.5 -43.04 62.1 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.976 0.417 . . . . 0.0 109.988 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.8 -36.41 76.68 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.547 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 49.4 t80 -53.95 -63.28 1.2 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.167 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -67.71 -39.59 84.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.746 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.432 ' ND2' HG21 ' A' ' 39' ' ' VAL . 34.8 t-20 -50.06 -39.04 40.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.56 0.695 . . . . 0.0 109.616 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -94.68 -24.17 17.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 114.637 -1.165 . . . . 0.0 112.707 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.487 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.1 m-20 -79.49 -43.06 23.92 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.909 0.385 . . . . 0.0 110.386 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.28 -114.7 0.0 OUTLIER Glycine 0 CA--C 1.523 0.545 0 CA-C-N 114.883 -1.053 . . . . 0.0 115.501 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.436 HG21 ' ND2' ' A' ' 35' ' ' ASN . 72.8 t -86.06 -55.31 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -175.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -87.76 25.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -176.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.78 165.34 52.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 119.757 -1.211 . . . . 0.0 111.302 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -88.93 93.41 9.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.233 0.517 . . . . 0.0 110.673 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.41 ' CH2' ' HA ' ' A' ' 31' ' ' LYS . 11.3 m95 -94.05 114.31 26.45 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 59.7 p -109.26 138.19 45.99 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.514 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 8.7 t80 -113.43 143.96 43.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.394 . . . . 0.0 111.842 -178.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -123.5 83.74 2.18 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.524 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.421 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 12.6 m-20 -45.63 -35.31 3.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.769 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.14 -34.22 21.51 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.5 p -128.2 13.66 6.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp 51.68 30.53 6.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.912 0.386 . . . . 0.0 110.157 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 95.0 m -113.08 148.78 34.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.878 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.514 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 2.8 m-85 -120.09 138.92 53.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.431 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.464 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.0 p -115.3 123.13 47.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.013 0.435 . . . . 0.0 111.125 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.9 t -105.55 106.86 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.65 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.72 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 38.6 m -100.45 116.38 32.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.676 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.817 -179.362 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.643 ' CE2' ' NZ ' ' B' ' 50' ' ' LYS . 36.7 m-85 -120.69 142.75 49.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.012 0.434 . . . . 0.0 111.459 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.56 ' HE2' ' HB3' ' A' ' 15' ' ' GLU . 22.6 tptm -99.25 103.76 15.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.347 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.58 ' HB ' HG23 ' A' ' 16' ' ' THR . 98.4 t -94.91 123.58 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.331 0.586 . . . . 0.0 111.652 -178.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.42 HG13 ' CG2' ' B' ' 51' ' ' THR . 13.8 mt -102.67 124.86 56.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.547 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.462 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.9 mt -103.15 84.5 2.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.609 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.483 ' O ' ' HA ' ' B' ' 55' ' ' THR . 34.9 t-20 -91.3 106.98 18.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.817 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.43 -167.36 14.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.697 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.523 ' HA ' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -82.43 -58.04 3.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.191 0.519 . . . . 0.0 110.147 179.549 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.438 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 3.1 p -100.19 0.23 40.05 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.475 HD11 ' OG1' ' B' ' 16' ' ' THR . 14.3 tp -139.32 138.03 36.33 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.334 0.587 . . . . 0.0 111.641 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' NZ ' ' ND2' ' A' ' 8' ' ' ASN . 27.3 mtpp -145.27 147.41 32.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.322 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -173.42 -173.26 39.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 119.337 -1.411 . . . . 0.0 114.572 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.56 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 56.0 mm-40 -138.59 126.34 22.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.898 -0.651 . . . . 0.0 110.02 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.58 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -134.34 167.12 21.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.276 -179.511 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.2 p -143.42 118.99 10.37 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.47 ' CA ' HD13 ' B' ' 12' ' ' LEU . 11.5 t -108.89 144.33 36.94 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.841 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -103.54 115.52 30.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.52 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.445 ' HB2' ' HA ' ' A' ' 26' ' ' ALA . . . -147.51 148.65 31.42 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 121.121 0.486 . . . . 0.0 111.796 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 t -50.88 -28.2 6.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.038 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -154.48 175.5 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 111.306 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.434 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -60.36 -42.97 96.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.406 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -63.08 -55.12 28.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.4 p -50.89 -45.51 60.13 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.445 ' HA ' ' HB2' ' A' ' 20' ' ' ALA . . . -60.18 -52.06 66.91 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.319 178.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -53.3 -45.46 68.96 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.419 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 73.8 mmtt -65.57 -47.53 75.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.316 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.437 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 90.6 t -56.81 -41.36 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.048 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.524 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 40.8 t -64.61 -46.65 91.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.446 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 9.4 mtpm? -49.7 -45.11 48.57 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-O 121.099 0.476 . . . . 0.0 110.064 178.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.43 -36.49 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.229 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.524 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 34.5 t80 -54.5 -62.39 1.69 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.227 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.476 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 23.9 m-85 -68.09 -39.5 82.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.545 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -50.07 -39.44 42.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.595 0.712 . . . . 0.0 109.848 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -94.89 -23.02 17.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.715 -1.13 . . . . 0.0 112.614 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.477 ' O ' ' C ' ' A' ' 38' ' ' GLY . 88.0 m-20 -79.98 -46.34 16.83 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.988 0.423 . . . . 0.0 109.958 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.95 -116.54 0.0 OUTLIER Glycine 0 C--N 1.332 0.341 0 CA-C-N 114.755 -1.111 . . . . 0.0 115.402 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.428 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 39.7 t -106.53 2.65 10.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -176.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -125.28 15.48 8.35 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 118.811 0.732 . . . . 0.0 112.021 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.6 172.92 52.49 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.49 -0.862 . . . . 0.0 113.152 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -98.07 100.68 12.02 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 110.428 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -96.46 118.69 33.51 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.1 p -109.21 136.14 49.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.887 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 20.4 t80 -107.34 144.78 33.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.935 0.398 . . . . 0.0 111.936 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -122.85 81.69 1.9 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.578 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.39 -36.34 9.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.792 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.66 -33.67 16.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.876 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.4 p -128.28 15.48 6.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.569 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.643 ' NZ ' ' CE2' ' B' ' 3' ' ' TYR . 0.4 OUTLIER 50.87 32.24 7.06 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 -179.605 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.554 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 97.3 m -107.43 148.26 29.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.237 -178.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.522 ' CE1' ' CD1' ' A' ' 45' ' ' TYR . 88.8 m-85 -114.87 118.04 32.41 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.869 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -101.99 123.35 45.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.337 0.589 . . . . 0.0 111.477 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.6 t -108.59 105.61 19.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.494 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 18.6 m -98.44 118.15 34.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.987 0.422 . . . . 0.0 111.654 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.105 179.893 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 55.6 ttm . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.939 0.399 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -101.01 139.48 36.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.97 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.643 ' CE2' ' NZ ' ' A' ' 50' ' ' LYS . 36.6 m-85 -120.64 142.68 49.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.05 0.453 . . . . 0.0 111.523 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.562 ' HE2' ' HB3' ' B' ' 15' ' ' GLU . 22.5 tptm -99.14 103.66 15.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.351 179.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.573 ' HB ' HG23 ' B' ' 16' ' ' THR . 98.5 t -94.9 123.73 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.366 0.603 . . . . 0.0 111.689 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' PHE . 13.6 mt -102.83 124.85 57.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.44 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.0 mt -103.15 84.51 2.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.522 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.49 ' O ' ' HA ' ' A' ' 55' ' ' THR . 34.7 t-20 -91.23 106.97 18.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.893 -178.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.48 -167.39 14.29 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.677 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.522 ' HA ' ' NZ ' ' B' ' 10' ' ' LYS . 0.0 OUTLIER -82.39 -58.08 3.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.203 0.525 . . . . 0.0 110.156 179.617 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.437 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 3.0 p -100.24 0.2 39.87 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.474 HD11 ' OG1' ' A' ' 16' ' ' THR . 14.4 tp -139.19 137.98 36.51 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.219 0.533 . . . . 0.0 111.733 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.412 ' NZ ' ' ND2' ' B' ' 8' ' ' ASN . 27.3 mtpp -145.3 147.43 32.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.411 179.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.427 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -173.44 -173.25 39.58 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 119.248 -1.453 . . . . 0.0 114.467 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.562 ' HB3' ' HE2' ' B' ' 4' ' ' LYS . 56.0 mm-40 -138.67 126.34 22.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.796 -0.702 . . . . 0.0 109.977 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.573 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -134.33 167.14 21.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.263 -179.485 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 58.6 p -143.46 118.99 10.34 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.471 ' CA ' HD13 ' A' ' 12' ' ' LEU . 11.4 t -108.92 144.32 37.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.773 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -103.59 115.59 30.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.477 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.435 ' HB2' ' HA ' ' B' ' 26' ' ' ALA . . . -147.57 148.7 31.43 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 121.166 0.508 . . . . 0.0 111.791 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 25.4 t -50.76 -28.31 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.013 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -154.48 175.46 13.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.882 0.372 . . . . 0.0 111.297 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.431 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.36 -42.92 96.77 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.481 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -63.06 -55.19 27.65 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 42.9 p -50.93 -45.53 60.51 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.435 ' HA ' ' HB2' ' B' ' 20' ' ' ALA . . . -60.18 -52.04 67.01 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -53.22 -45.65 68.75 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.419 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' B' ' 24' ' ' ALA . 73.8 mmtt -65.41 -47.64 75.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.331 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.438 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 90.6 t -56.65 -41.39 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.114 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.521 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 40.9 t -64.6 -46.75 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.443 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 9.4 mtpm? -49.62 -45.1 47.79 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 121.126 0.488 . . . . 0.0 110.129 178.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.44 -36.48 76.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.225 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.521 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 34.4 t80 -54.62 -62.37 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.201 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.476 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 23.9 m-85 -67.9 -39.69 83.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.595 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -50.04 -39.45 41.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.565 0.698 . . . . 0.0 109.865 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -94.86 -22.98 17.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.567 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.479 ' O ' ' C ' ' B' ' 38' ' ' GLY . 88.0 m-20 -79.95 -46.31 16.95 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.948 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.93 -116.53 0.0 OUTLIER Glycine 0 C--N 1.332 0.357 0 CA-C-N 114.723 -1.126 . . . . 0.0 115.39 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.419 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 40.0 t -106.59 2.68 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -176.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -125.19 15.21 8.41 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.548 -0.72 . . . . 0.0 112.009 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.24 173.2 53.07 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.467 -0.873 . . . . 0.0 113.185 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -98.31 100.79 12.1 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.413 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -96.59 118.63 33.48 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 59.4 p -109.22 136.07 49.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.884 178.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.522 ' CD1' ' CE1' ' B' ' 52' ' ' PHE . 20.3 t80 -107.35 144.84 33.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.004 0.431 . . . . 0.0 111.829 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.0 81.61 1.89 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.471 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.24 -36.36 8.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.784 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.62 -33.65 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.0 p -128.27 15.5 6.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.673 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.643 ' NZ ' ' CE2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER 50.87 32.28 7.09 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.598 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.549 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 97.3 m -107.39 148.33 29.23 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.188 -178.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.522 ' CE1' ' CD1' ' B' ' 45' ' ' TYR . 88.4 m-85 -114.94 118.15 32.64 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.845 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -101.86 123.27 45.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.28 0.562 . . . . 0.0 111.479 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.6 t -108.71 105.61 19.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.471 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 18.5 m -98.29 118.16 34.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.871 0.367 . . . . 0.0 111.578 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.948 179.919 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.414 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 63.3 m-85 -125.78 142.03 51.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.89 0.376 . . . . 0.0 110.977 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' B' ' 51' ' ' THR . 24.8 ttmm -109.77 111.58 23.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.593 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.54 ' HB ' HG23 ' A' ' 16' ' ' THR . 51.8 t -94.29 125.09 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.154 0.502 . . . . 0.0 111.008 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.468 HG13 ' CG2' ' B' ' 51' ' ' THR . 75.9 mt -94.92 122.67 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.584 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.416 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.5 mt -102.97 83.67 2.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.331 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.719 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.6 m120 -92.25 106.91 18.82 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.164 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.02 -171.62 18.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.074 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -78.69 -55.13 5.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.872 0.368 . . . . 0.0 110.466 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.438 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 7.7 p -105.41 3.33 29.56 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.936 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.511 ' HB3' ' CD1' ' B' ' 33' ' ' PHE . 18.6 tp -137.77 138.61 39.43 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.04 0.448 . . . . 0.0 111.263 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -145.11 145.08 31.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.23 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.461 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.19 -177.2 44.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.031 -1.081 . . . . 0.0 113.482 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -138.9 136.02 35.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.265 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.54 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -134.41 165.65 24.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.069 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.3 p -143.47 119.19 10.48 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.483 ' CA ' HD12 ' B' ' 12' ' ' LEU . 12.0 t -107.38 145.64 32.65 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.373 178.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -107.99 118.93 38.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.581 0.229 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.402 ' CB ' ' N ' ' A' ' 26' ' ' ALA . . . -149.07 152.04 35.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.211 0.529 . . . . 0.0 111.968 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.88 -27.67 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.753 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.443 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 6.4 p-10 -153.39 174.79 13.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 111.542 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.414 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -59.22 -42.91 92.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.255 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.86 -55.31 31.15 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.443 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 34.1 p -52.14 -45.19 64.9 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.402 ' N ' ' CB ' ' A' ' 20' ' ' ALA . . . -60.26 -53.43 57.76 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -50.3 -50.22 51.29 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.918 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -57.24 -38.84 74.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.994 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.44 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 93.4 t -57.93 -39.74 73.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.483 ' CG1' ' CH2' ' B' ' 43' ' ' TRP . 43.1 t -63.96 -48.15 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HD2' ' CZ3' ' B' ' 43' ' ' TRP . 1.0 OUTLIER -46.58 -42.92 16.74 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.675 179.094 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -72.88 -36.46 67.36 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' B' ' 12' ' ' LEU . 49.6 t80 -55.75 -57.24 12.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.771 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.47 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 25.1 m-85 -73.39 -40.66 64.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.528 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -49.84 -37.61 31.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.397 0.618 . . . . 0.0 110.045 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.5 -22.81 18.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.608 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.47 ' O ' ' C ' ' A' ' 38' ' ' GLY . 85.0 m-20 -79.62 -46.87 16.42 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 120.272 -0.571 . . . . 0.0 109.466 178.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.33 -120.66 0.0 OUTLIER Glycine 0 C--N 1.334 0.454 0 CA-C-N 114.967 -1.015 . . . . 0.0 115.621 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 27.0 t -111.62 3.8 8.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -176.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -125.16 13.33 8.34 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.836 -0.54 . . . . 0.0 112.003 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.67 176.03 53.41 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.992 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -97.78 101.04 12.45 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.781 0.324 . . . . 0.0 110.138 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.486 ' CH2' ' CG1' ' B' ' 30' ' ' VAL . 14.4 m0 -98.52 120.86 39.67 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -178.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.9 p -103.34 134.11 47.28 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.506 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 11.3 t80 -106.35 140.1 39.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.894 0.378 . . . . 0.0 111.511 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -123.26 81.41 1.88 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.558 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.23 -35.46 12.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.438 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.92 -31.08 11.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.97 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.4 p -126.97 14.55 7.37 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 48.95 38.48 12.46 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.066 0.46 . . . . 0.0 110.384 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.466 ' CG2' HG13 ' B' ' 6' ' ' ILE . 97.4 m -121.58 141.64 50.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.475 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.506 ' CE1' ' CD1' ' A' ' 45' ' ' TYR . 96.4 m-85 -108.91 95.54 5.72 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-O 121.334 0.588 . . . . 0.0 111.879 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.4 ' CG2' ' HB ' ' B' ' 6' ' ' ILE . 2.5 p -76.59 130.12 37.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.693 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.411 HG22 ' CG ' ' A' ' 43' ' ' TRP . 61.2 t -122.14 127.53 75.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.385 178.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.71 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 5.6 m -116.27 124.16 49.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.019 0.438 . . . . 0.0 111.678 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.887 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.454 ' HG3' ' CE1' ' B' ' 3' ' ' TYR . 55.0 tpp . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.986 0.422 . . . . 0.0 111.459 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -101.73 140.21 36.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.829 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.454 ' CE1' ' HG3' ' B' ' 1' ' ' MET . 63.7 m-85 -125.67 142.01 51.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.794 0.33 . . . . 0.0 111.053 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 51' ' ' THR . 24.8 ttmm -109.76 111.57 23.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.562 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.535 ' HB ' HG23 ' B' ' 16' ' ' THR . 51.1 t -94.29 125.12 46.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.246 0.546 . . . . 0.0 111.015 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.466 HG13 ' CG2' ' A' ' 51' ' ' THR . 75.6 mt -94.94 122.75 46.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.575 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mt -102.98 83.69 2.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.287 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.71 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.6 m120 -92.26 106.96 18.86 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.092 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.1 -171.65 18.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.96 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -78.64 -55.05 5.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.924 0.392 . . . . 0.0 110.562 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.44 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 7.7 p -105.46 3.36 29.46 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.953 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.516 ' HB3' ' CD1' ' A' ' 33' ' ' PHE . 18.9 tp -137.82 138.66 39.41 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.051 0.453 . . . . 0.0 111.252 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -145.15 145.07 31.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.228 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.463 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.13 -177.14 43.99 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 119.98 -1.105 . . . . 0.0 113.475 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -138.87 136.14 35.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.918 0.39 . . . . 0.0 110.239 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.535 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -134.52 165.66 24.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.99 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 69.1 p -143.49 119.18 10.46 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.475 ' CA ' HD12 ' A' ' 12' ' ' LEU . 12.0 t -107.39 145.71 32.59 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.368 178.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -108.07 118.96 38.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.663 0.268 . . . . 0.0 110.759 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.1 152.0 35.4 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 121.204 0.526 . . . . 0.0 111.964 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.88 -27.62 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.691 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.445 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 6.5 p-10 -153.42 174.76 13.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.998 0.428 . . . . 0.0 111.47 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.416 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -59.21 -42.93 92.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.353 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.93 -55.16 32.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.045 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.445 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 34.2 p -52.18 -45.09 65.01 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 178.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.41 -53.41 57.89 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -50.2 -50.28 49.94 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.972 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -57.13 -38.84 74.06 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.066 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.438 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 93.7 t -57.99 -39.7 73.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.486 ' CG1' ' CH2' ' A' ' 43' ' ' TRP . 43.0 t -63.94 -48.23 87.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.46 ' HD2' ' CZ3' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -46.67 -42.82 17.01 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.72 179.173 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -72.83 -36.49 67.49 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.511 ' CD1' ' HB3' ' A' ' 12' ' ' LEU . 49.9 t80 -55.77 -57.26 12.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.792 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.468 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 25.2 m-85 -73.31 -40.69 64.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.629 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -49.77 -37.63 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.346 0.593 . . . . 0.0 110.027 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.49 -22.8 18.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.08 -0.964 . . . . 0.0 112.551 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 85.0 m-20 -79.73 -46.81 16.37 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.459 178.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.37 -120.65 0.0 OUTLIER Glycine 0 C--N 1.334 0.435 0 CA-C-N 114.986 -1.006 . . . . 0.0 115.562 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.421 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 26.9 t -111.63 3.9 8.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -176.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -125.25 13.22 8.28 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 121.789 -0.569 . . . . 0.0 111.985 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.61 175.98 53.45 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.078 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -97.73 101.03 12.43 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.483 ' CH2' ' CG1' ' A' ' 30' ' ' VAL . 14.5 m0 -98.49 120.93 39.77 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 66.4 p -103.36 134.1 47.31 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.503 ' CD1' ' CE1' ' B' ' 52' ' ' PHE . 11.1 t80 -106.31 140.11 39.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.382 . . . . 0.0 111.488 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -123.22 81.41 1.88 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.587 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.32 -35.44 12.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.43 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.98 -30.94 11.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.899 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.9 p -127.02 14.58 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 48.98 38.47 12.54 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.035 0.445 . . . . 0.0 110.437 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.468 ' CG2' HG13 ' A' ' 6' ' ' ILE . 99.6 m -121.47 141.65 50.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.516 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.503 ' CE1' ' CD1' ' B' ' 45' ' ' TYR . 96.5 m-85 -108.94 95.5 5.69 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.339 0.59 . . . . 0.0 111.851 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.4 ' CG2' ' HB ' ' A' ' 6' ' ' ILE . 2.6 p -76.5 130.14 37.52 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.719 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.404 HG22 ' CG ' ' B' ' 43' ' ' TRP . 60.2 t -122.13 127.49 75.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.491 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.719 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 5.6 m -116.31 124.17 49.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.028 0.442 . . . . 0.0 111.613 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.884 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.824 0.345 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -133.95 151.75 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.6 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' B' ' 51' ' ' THR . 39.1 ttpt -101.39 108.3 19.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.392 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.508 ' HB ' HG21 ' A' ' 16' ' ' THR . 67.3 t -94.75 111.82 26.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.42 0.629 . . . . 0.0 110.957 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' B' ' 52' ' ' PHE . 69.9 mt -94.68 131.43 41.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.233 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 14.7 mt -111.24 103.35 11.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.495 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.606 ' O ' ' HA ' ' B' ' 55' ' ' THR . 5.2 m120 -106.99 108.9 20.63 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -178.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.19 -170.74 17.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.919 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 4.0 mptp? -78.0 -54.81 5.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.898 0.38 . . . . 0.0 110.679 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.428 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 9.2 p -104.62 4.54 32.86 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.342 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.521 HD13 ' CA ' ' B' ' 18' ' ' THR . 23.6 tp -138.66 138.58 37.92 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.147 0.499 . . . . 0.0 111.65 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.442 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 1.7 mppt? -144.89 145.41 31.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.049 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -177.63 -170.77 40.35 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 119.98 -1.105 . . . . 0.0 113.464 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -145.27 140.82 28.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.772 0.32 . . . . 0.0 110.498 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.508 HG21 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -141.56 169.32 17.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.573 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.4 p -143.19 120.07 11.28 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.527 ' CA ' HD13 ' B' ' 12' ' ' LEU . 15.3 t -107.16 142.56 36.68 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.047 179.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -98.19 110.18 22.81 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.73 147.86 32.38 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.137 0.494 . . . . 0.0 111.952 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.0 t -50.89 -28.04 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.987 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 58.1 p30 -158.13 177.81 10.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.954 0.407 . . . . 0.0 111.584 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.87 91.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.511 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.43 -55.65 28.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.116 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.4 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 46.5 p -51.3 -45.54 62.22 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.11 -53.85 53.7 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.42 ' OE2' ' CE3' ' B' ' 43' ' ' TRP . 40.4 tp10 -48.56 -47.98 39.06 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.33 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -65.5 -48.9 71.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.1 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.428 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 85.2 t -54.91 -42.28 62.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.378 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.506 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 29.5 t -65.54 -47.92 84.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -49.87 -41.92 46.5 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.152 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -63.71 -37.17 86.35 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.506 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 39.6 t80 -54.97 -59.08 5.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.181 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -70.84 -40.82 72.16 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.941 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -49.49 -38.55 30.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.492 0.663 . . . . 0.0 109.716 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -94.37 -22.81 18.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.717 -1.129 . . . . 0.0 112.491 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.472 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 88.2 m-20 -81.53 -46.84 13.91 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.028 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -8.89 -116.11 0.0 OUTLIER Glycine 0 C--N 1.333 0.367 0 N-CA-C 115.763 1.065 . . . . 0.0 115.763 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.427 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 32.5 t -110.63 5.02 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -176.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -125.14 11.75 8.23 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.818 -0.551 . . . . 0.0 111.729 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.67 175.9 52.2 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.556 -0.831 . . . . 0.0 113.106 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -98.73 100.83 12.08 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.757 0.313 . . . . 0.0 110.535 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.423 ' CZ3' HG11 ' B' ' 30' ' ' VAL . 13.9 m95 -91.32 112.23 24.05 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.1 p -104.46 133.24 49.67 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.426 ' CD2' ' OD1' ' A' ' 47' ' ' ASP . 9.8 t80 -111.9 144.98 40.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.896 0.379 . . . . 0.0 111.442 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -123.17 84.83 2.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.959 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.426 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 22.3 m-20 -48.7 -36.77 16.91 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.378 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.78 -33.4 16.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.013 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.5 p -127.41 15.29 7.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.609 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? 46.46 36.27 3.4 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.182 0.515 . . . . 0.0 110.679 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 98.6 m -116.59 146.49 42.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.264 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' B' ' 6' ' ' ILE . 61.8 m-85 -110.11 126.93 54.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.07 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -110.6 125.97 53.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.02 0.438 . . . . 0.0 111.206 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.8 t -114.56 115.01 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.064 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.606 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 10.1 m -99.91 113.28 25.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.982 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' O ' ' HE2' ' B' ' 10' ' ' LYS . 4.3 tm-20 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.042 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.439 ' HE3' ' CZ ' ' B' ' 3' ' ' TYR . 44.0 ttp . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.639 0.257 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -109.85 149.22 30.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.657 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.439 ' CZ ' ' HE3' ' B' ' 1' ' ' MET . 4.7 m-85 -133.85 151.78 51.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.616 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 51' ' ' THR . 39.0 ttpt -101.44 108.15 19.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 110.428 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.516 ' HB ' HG21 ' B' ' 16' ' ' THR . 67.2 t -94.65 111.92 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 121.405 0.621 . . . . 0.0 111.033 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 52' ' ' PHE . 70.3 mt -94.7 131.55 41.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.217 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 14.5 mt -111.37 103.49 11.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.463 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.606 ' O ' ' HA ' ' A' ' 55' ' ' THR . 5.2 m120 -107.16 108.8 20.42 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -178.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.1 -170.75 17.11 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.469 -0.872 . . . . 0.0 111.895 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' B' ' 10' ' ' LYS . 4.0 mptp? -78.06 -54.72 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.888 0.375 . . . . 0.0 110.591 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.428 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 9.3 p -104.82 4.65 32.39 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.326 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.527 HD13 ' CA ' ' A' ' 18' ' ' THR . 23.3 tp -138.76 138.57 37.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.126 0.489 . . . . 0.0 111.583 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' B' ' 13' ' ' LYS . 1.7 mppt? -144.94 145.37 31.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.083 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.444 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -177.63 -170.8 40.37 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.029 -1.081 . . . . 0.0 113.545 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -145.2 140.83 28.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.754 0.311 . . . . 0.0 110.507 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.516 HG21 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -141.55 169.16 18.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.545 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 46.5 p -143.15 120.12 11.34 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.521 ' CA ' HD13 ' A' ' 12' ' ' LEU . 15.3 t -107.08 142.73 36.28 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.029 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -98.3 110.34 22.94 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.76 147.93 32.42 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.168 0.508 . . . . 0.0 111.972 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 37.2 t -50.9 -28.05 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.069 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.402 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 58.2 p30 -158.12 177.78 10.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.93 0.395 . . . . 0.0 111.623 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.87 91.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.626 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.39 -55.73 28.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.089 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.402 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 46.8 p -51.22 -45.59 61.98 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.96 -53.95 52.58 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.417 ' OE2' ' CE3' ' A' ' 43' ' ' TRP . 40.5 tp10 -48.52 -48.05 38.58 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.389 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -65.42 -48.88 71.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.104 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.428 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 83.9 t -54.94 -42.31 63.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.281 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.51 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 29.0 t -65.56 -47.86 84.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -49.95 -41.95 47.61 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.14 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -63.54 -37.29 86.74 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.51 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 39.3 t80 -54.96 -59.08 5.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.173 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -70.81 -40.87 72.24 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.895 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -49.45 -38.6 30.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.607 0.717 . . . . 0.0 109.78 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -94.31 -22.78 18.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.704 -1.135 . . . . 0.0 112.539 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.473 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 88.2 m-20 -81.56 -46.89 13.8 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.06 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -8.81 -116.23 0.0 OUTLIER Glycine 0 CA--C 1.519 0.324 0 CA-C-N 114.97 -1.014 . . . . 0.0 115.615 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.427 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 32.5 t -110.56 5.08 8.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -176.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -125.15 11.6 8.21 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.872 -0.517 . . . . 0.0 111.784 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.6 175.94 52.32 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.596 -0.811 . . . . 0.0 113.111 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -98.81 100.77 12.01 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.774 0.321 . . . . 0.0 110.539 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.423 ' CZ3' HG11 ' A' ' 30' ' ' VAL . 13.9 m95 -91.36 112.2 24.01 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 64.1 p -104.46 133.18 49.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.666 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.429 ' CD2' ' OD1' ' B' ' 47' ' ' ASP . 9.9 t80 -111.82 144.96 40.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.984 0.421 . . . . 0.0 111.44 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -123.15 84.96 2.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.869 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.429 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 22.1 m-20 -48.68 -36.77 16.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.495 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.82 -33.48 16.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.997 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 72.1 p -127.39 15.47 7.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? 46.46 36.11 3.3 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.17 0.51 . . . . 0.0 110.7 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 98.9 m -116.47 146.53 42.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.268 -179.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 6' ' ' ILE . 62.0 m-85 -110.09 126.94 54.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -110.65 125.96 54.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.068 0.461 . . . . 0.0 111.123 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 48.5 t -114.5 115.01 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.099 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.606 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 10.0 m -99.97 113.33 25.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.895 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.403 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 4.3 tm-20 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.383 -0.818 . . . . 0.0 111.058 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.755 0.312 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -127.94 148.16 50.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.82 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.487 ' HB2' ' NZ ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -94.9 135.29 36.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.406 179.617 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.473 ' O ' HG22 ' A' ' 16' ' ' THR . 47.7 t -122.22 117.43 52.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.172 0.511 . . . . 0.0 111.054 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.429 ' CG2' ' ND2' ' A' ' 8' ' ' ASN . 70.9 mt -98.88 118.7 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.72 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.412 HD13 HG23 ' A' ' 16' ' ' THR . 9.3 mt -101.22 88.47 3.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.909 0.385 . . . . 0.0 110.315 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.566 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.3 m120 -95.55 105.46 17.44 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.319 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.16 -171.14 20.0 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.219 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -73.74 -55.26 6.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.709 0.29 . . . . 0.0 111.134 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.453 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 4.7 p -112.85 13.15 19.62 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.193 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.591 ' HB3' ' CD1' ' B' ' 33' ' ' PHE . 20.9 tp -138.54 138.45 38.0 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.978 0.418 . . . . 0.0 110.922 -179.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -141.35 140.13 33.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.255 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.465 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -174.11 -176.64 42.68 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 119.929 -1.129 . . . . 0.0 113.45 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.411 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 54.4 mp0 -142.91 140.88 31.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.466 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -137.89 168.46 19.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.919 -179.81 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.426 HG23 ' HD3' ' A' ' 4' ' ' LYS . 81.3 p -143.63 121.26 11.81 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -179.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.524 ' CA ' HD11 ' B' ' 12' ' ' LEU . 10.3 t -105.98 141.01 38.09 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.188 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -100.68 111.92 24.23 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' A' ' 26' ' ' ALA . . . -147.6 151.2 35.84 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 121.3 0.571 . . . . 0.0 112.082 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.1 t -51.02 -37.12 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.114 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -144.11 171.12 14.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.802 0.334 . . . . 0.0 111.311 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.46 82.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.57 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.84 -54.47 38.36 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.0 p -52.13 -45.87 65.14 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.429 ' HA ' ' HB1' ' A' ' 20' ' ' ALA . . . -59.98 -51.79 68.14 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.282 178.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.459 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 44.6 tt0 -53.15 -48.53 67.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.818 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -57.53 -39.64 77.04 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.832 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.455 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 86.9 t -56.88 -39.79 67.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.751 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.486 ' CG1' ' CE2' ' A' ' 34' ' ' PHE . 10.5 t -63.66 -47.23 92.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.599 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 4.2 mptp? -47.56 -46.42 27.89 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.886 0.374 . . . . 0.0 110.484 178.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -69.38 -38.09 77.86 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.594 ' CD1' ' HB3' ' B' ' 12' ' ' LEU . 62.9 t80 -55.26 -53.61 53.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.866 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.486 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 22.7 m-85 -76.81 -39.83 50.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.403 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -50.17 -37.72 36.15 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.389 0.614 . . . . 0.0 110.029 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -94.22 -24.47 17.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.531 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 84.7 m-20 -77.49 -46.46 22.39 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 37' ' ' ASN . . . -4.16 -122.55 0.0 OUTLIER Glycine 0 C--N 1.334 0.425 0 CA-C-N 114.777 -1.101 . . . . 0.0 115.595 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.423 ' CG1' ' O ' ' A' ' 39' ' ' VAL . 33.3 t -112.04 4.9 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.56 13.4 8.73 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.877 -0.514 . . . . 0.0 112.125 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.17 176.33 53.8 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.508 -0.853 . . . . 0.0 113.016 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -96.9 102.9 14.77 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.468 ' CH2' ' HD2' ' B' ' 31' ' ' LYS . 7.2 m0 -100.36 120.49 40.04 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.7 p -107.16 135.77 48.12 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.515 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 8.5 t80 -111.26 144.44 40.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.962 0.41 . . . . 0.0 111.421 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -123.27 83.39 2.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.608 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 52.8 m-20 -48.0 -37.31 14.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.424 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.16 -35.12 59.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.042 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.1 p -115.82 10.56 15.35 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.484 ' HB3' ' NZ ' ' A' ' 50' ' ' LYS . 2.8 mmmp? 49.05 34.9 6.15 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.78 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 70.7 m -127.11 146.12 50.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.105 0.479 . . . . 0.0 111.871 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.515 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.9 m-85 -109.84 141.15 42.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.828 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.8 p -120.45 128.26 53.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.264 0.554 . . . . 0.0 111.939 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.0 t -108.05 108.95 26.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.109 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.564 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 2.9 m -99.88 112.3 24.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.987 0.422 . . . . 0.0 111.378 -178.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.932 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.449 ' CE ' ' CE ' ' A' ' 50' ' ' LYS . 18.3 ttt . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.717 0.294 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -106.58 141.29 38.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.335 . . . . 0.0 111.132 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -128.0 148.18 50.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.487 ' NZ ' ' HB2' ' B' ' 4' ' ' LYS . 0.1 OUTLIER -95.01 135.36 36.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.303 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.475 ' O ' HG22 ' B' ' 16' ' ' THR . 47.6 t -122.25 117.4 52.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.136 0.493 . . . . 0.0 111.044 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.465 HD13 HG21 ' B' ' 6' ' ' ILE . 70.9 mt -98.89 118.63 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.777 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.415 HD13 HG23 ' B' ' 16' ' ' THR . 9.3 mt -101.15 88.5 3.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.935 0.398 . . . . 0.0 110.371 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.564 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.3 m120 -95.62 105.46 17.45 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.344 -179.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.25 -171.16 19.94 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.21 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -73.54 -55.41 6.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.689 0.281 . . . . 0.0 111.185 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.455 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 4.8 p -112.72 12.97 19.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.189 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.594 ' HB3' ' CD1' ' A' ' 33' ' ' PHE . 20.9 tp -138.45 138.34 38.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.998 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -141.19 140.2 33.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.128 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -174.09 -176.73 42.73 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.011 -1.09 . . . . 0.0 113.446 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 54.6 mp0 -142.92 141.05 31.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.95 0.405 . . . . 0.0 110.421 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.475 HG22 ' O ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -138.0 168.51 19.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.949 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.419 HG23 ' HD3' ' B' ' 4' ' ' LYS . 79.2 p -143.77 121.18 11.66 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.515 ' CA ' HD11 ' A' ' 12' ' ' LEU . 10.1 t -106.01 141.07 38.02 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.133 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -100.67 111.79 24.08 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' B' ' 26' ' ' ALA . . . -147.52 151.25 36.04 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.284 0.564 . . . . 0.0 112.121 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.2 t -51.09 -37.05 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.006 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -144.24 171.05 14.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.871 0.367 . . . . 0.0 111.267 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.48 -42.38 82.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.648 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.85 -54.36 39.92 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 75.2 p -52.24 -45.72 65.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.428 ' HA ' ' HB1' ' B' ' 20' ' ' ALA . . . -60.03 -51.85 67.87 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.206 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.454 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 44.6 tt0 -53.14 -48.55 67.82 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.872 179.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -57.52 -39.6 76.91 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.829 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.453 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 87.1 t -56.85 -39.9 67.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.695 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.488 ' CG1' ' CE2' ' B' ' 34' ' ' PHE . 10.5 t -63.65 -47.36 91.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.468 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 4.1 mptp? -47.48 -46.45 27.04 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.921 0.391 . . . . 0.0 110.557 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -69.28 -38.2 78.24 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.591 ' CD1' ' HB3' ' A' ' 12' ' ' LEU . 62.8 t80 -55.19 -53.64 53.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.877 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.488 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 22.8 m-85 -76.66 -39.95 50.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.365 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -50.19 -37.72 36.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.446 0.641 . . . . 0.0 110.056 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -94.25 -24.46 17.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.133 -0.94 . . . . 0.0 112.501 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 84.7 m-20 -77.49 -46.35 22.74 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' B' ' 37' ' ' ASN . . . -4.21 -122.57 0.0 OUTLIER Glycine 0 C--N 1.333 0.415 0 CA-C-N 114.678 -1.147 . . . . 0.0 115.587 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.428 ' CG1' ' O ' ' B' ' 39' ' ' VAL . 34.1 t -112.0 4.89 8.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -176.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.54 13.41 8.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.841 -0.537 . . . . 0.0 112.067 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.27 176.3 53.73 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.997 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -96.78 102.89 14.76 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.464 ' CH2' ' HD2' ' A' ' 31' ' ' LYS . 7.1 m0 -100.26 120.43 39.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 75.0 p -107.23 135.65 48.4 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.513 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 8.4 t80 -111.15 144.36 40.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.939 0.399 . . . . 0.0 111.425 -178.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -123.2 83.34 2.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.75 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 53.2 m-20 -47.88 -37.52 14.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.338 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.1 -35.01 59.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.022 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.4 p -115.92 10.64 15.26 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.48 ' NZ ' ' HB3' ' B' ' 50' ' ' LYS . 2.8 mmmp? 48.96 34.95 5.99 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.837 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 70.0 m -127.14 145.99 50.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.075 0.464 . . . . 0.0 111.917 -178.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.513 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.9 m-85 -109.77 141.2 42.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.886 179.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.7 p -120.5 128.26 52.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.322 0.582 . . . . 0.0 111.911 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 47.9 t -107.89 108.97 26.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.139 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.566 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 2.9 m -99.95 112.19 24.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.019 0.438 . . . . 0.0 111.457 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.974 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' A' ' 17' ' ' THR . 21.2 m-85 -125.91 143.68 50.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.706 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' B' ' 51' ' ' THR . 6.8 ttpm? -105.83 108.47 20.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.206 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.42 ' O ' HG21 ' A' ' 16' ' ' THR . 52.0 t -94.8 132.03 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.278 0.561 . . . . 0.0 111.374 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.448 HG13 ' CG2' ' B' ' 51' ' ' THR . 67.2 mt -101.25 116.22 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.512 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.424 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.2 mt -94.85 89.85 5.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.535 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.574 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.6 t-20 -98.23 105.48 17.63 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.913 -178.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.507 ' HA2' ' OE1' ' B' ' 56' ' ' GLU . . . -113.98 -166.63 15.96 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.033 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.45 ' HG2' ' HG3' ' B' ' 56' ' ' GLU . 28.3 mmmt -72.0 -57.08 4.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.327 . . . . 0.0 111.326 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.442 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 3.9 p -114.73 15.0 17.61 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.545 ' HB3' ' CD1' ' B' ' 33' ' ' PHE . 33.1 tp -139.54 139.22 36.82 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.127 0.489 . . . . 0.0 111.342 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -145.28 144.61 30.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.208 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.507 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.04 -169.75 39.34 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.059 -1.067 . . . . 0.0 113.542 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -145.36 136.7 25.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.032 0.444 . . . . 0.0 110.749 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.507 ' HA ' ' HA3' ' B' ' 14' ' ' GLY . 0.0 OUTLIER -131.54 168.17 18.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.904 -179.766 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 66.9 p -143.44 118.47 10.05 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.504 ' CA ' HD13 ' B' ' 12' ' ' LEU . 10.3 t -107.44 143.57 35.6 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.349 178.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -106.71 112.65 25.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.22 153.16 42.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.372 0.606 . . . . 0.0 112.001 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -50.79 -26.0 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.806 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.425 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 7.9 p-10 -157.97 174.95 14.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.007 0.432 . . . . 0.0 111.635 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -58.21 -42.0 85.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.323 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.52 -54.11 44.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.174 179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.425 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 33.3 p -52.4 -44.68 65.51 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.26 -53.15 61.08 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -51.09 -48.5 61.65 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.773 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -61.57 -44.26 97.36 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.108 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.44 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 78.7 t -55.47 -44.57 76.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.654 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.571 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 90.7 t -65.06 -47.54 87.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.435 ' HA ' ' CH2' ' B' ' 43' ' ' TRP . 90.7 mttt -48.34 -49.0 36.02 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.591 179.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -66.7 -35.81 81.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.512 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.571 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 69.8 t80 -52.59 -51.46 59.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.999 178.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.433 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 26.3 m-85 -77.34 -37.21 52.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.305 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -49.92 -39.78 41.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.629 0.728 . . . . 0.0 109.81 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.71 -24.34 17.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.722 -1.126 . . . . 0.0 112.863 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 88.8 m-20 -78.22 -46.14 21.2 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -3.61 -119.53 0.0 OUTLIER Glycine 0 CA--C 1.521 0.427 0 CA-C-N 114.415 -1.266 . . . . 0.0 116.156 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.7 t -85.52 -55.23 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 -175.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -92.2 29.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -176.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.64 161.76 54.26 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 119.887 -1.149 . . . . 0.0 112.057 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -87.53 99.17 11.83 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.86 0.33 . . . . 0.0 110.11 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.438 ' CH2' ' HA ' ' B' ' 31' ' ' LYS . 8.4 m0 -100.91 118.95 37.97 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.9 p -110.65 137.81 47.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.51 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 8.4 t80 -114.62 144.8 42.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.726 0.298 . . . . 0.0 111.526 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -123.52 84.34 2.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.59 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 17.9 m-20 -47.93 -34.05 8.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.33 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.91 -34.09 19.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.22 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.4 p -125.25 16.0 8.37 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HE3' ' HB3' ' A' ' 50' ' ' LYS . 8.3 mmmt 48.95 35.41 6.69 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.702 0.287 . . . . 0.0 110.613 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.453 ' CG2' HG13 ' B' ' 6' ' ' ILE . 95.8 m -125.23 142.01 51.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.007 0.432 . . . . 0.0 111.845 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.51 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 6.8 m-85 -107.7 138.99 42.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.352 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -116.24 125.77 52.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.204 0.526 . . . . 0.0 111.025 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.1 t -113.89 119.22 60.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.143 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.575 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 8.9 m -100.45 110.15 22.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.42 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.502 ' OE1' ' HA2' ' B' ' 9' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.204 -0.903 . . . . 0.0 112.299 -178.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.8 mmm . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 121.049 0.452 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -105.83 144.83 32.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.158 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' B' ' 17' ' ' THR . 21.3 m-85 -125.8 143.73 50.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.756 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 51' ' ' THR . 6.8 ttpm? -105.72 108.57 20.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.109 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.42 ' O ' HG21 ' B' ' 16' ' ' THR . 51.2 t -94.84 131.96 40.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.335 0.588 . . . . 0.0 111.421 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.453 HG13 ' CG2' ' A' ' 51' ' ' THR . 67.1 mt -101.1 116.12 44.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.433 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.2 mt -94.89 89.84 5.79 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.575 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.7 t-20 -98.19 105.49 17.64 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.988 -178.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.502 ' HA2' ' OE1' ' A' ' 56' ' ' GLU . . . -113.89 -166.73 16.06 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.437 -0.887 . . . . 0.0 113.005 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.442 ' HG2' ' HG3' ' A' ' 56' ' ' GLU . 28.3 mmmt -71.97 -57.06 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 111.298 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.44 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 3.8 p -114.74 15.06 17.58 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.154 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.541 ' HB3' ' CD1' ' A' ' 33' ' ' PHE . 32.7 tp -139.53 139.22 36.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.125 0.488 . . . . 0.0 111.262 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -145.27 144.53 30.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.223 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.507 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.04 -169.8 39.4 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 119.971 -1.109 . . . . 0.0 113.398 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -145.34 136.76 25.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.047 0.451 . . . . 0.0 110.64 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.507 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -131.57 168.19 18.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.008 -179.844 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' B' ' 3' ' ' TYR . 66.5 p -143.44 118.48 10.05 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.505 ' CA ' HD13 ' A' ' 12' ' ' LEU . 10.4 t -107.44 143.54 35.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.303 178.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -106.68 112.8 25.94 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.4 153.08 42.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.216 0.531 . . . . 0.0 112.025 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -50.79 -25.97 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.814 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.426 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 7.9 p-10 -157.93 174.86 14.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 111.649 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -58.1 -42.11 84.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.364 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.49 -54.04 45.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.189 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.426 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 32.8 p -52.55 -44.69 65.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.1 -53.29 59.49 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -51.0 -48.6 61.32 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.797 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -61.34 -44.45 97.18 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.029 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.442 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 78.2 t -55.4 -44.55 76.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.65 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.572 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 90.7 t -65.23 -47.44 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.438 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . 90.7 mttt -48.33 -49.02 35.8 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 120.955 0.407 . . . . 0.0 110.601 179.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -66.63 -35.82 81.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.56 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.572 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 70.2 t80 -52.58 -51.55 59.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.905 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.432 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 26.3 m-85 -77.39 -37.03 52.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.361 178.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -50.06 -39.78 43.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.559 0.695 . . . . 0.0 109.804 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.66 -24.25 17.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.955 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 88.8 m-20 -78.3 -46.16 20.86 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -3.77 -119.47 0.0 OUTLIER Glycine 0 CA--C 1.521 0.429 0 CA-C-N 114.475 -1.238 . . . . 0.0 116.086 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.0 t -85.53 -55.16 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -175.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -92.22 29.33 1.68 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -176.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.65 161.71 54.25 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 119.973 -1.108 . . . . 0.0 112.063 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -87.53 99.29 11.93 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.435 ' CH2' ' HA ' ' A' ' 31' ' ' LYS . 8.4 m0 -101.04 119.08 38.22 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -177.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 74.3 p -110.81 137.73 48.09 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.512 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 8.4 t80 -114.61 144.73 42.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 0.0 111.494 -178.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -123.49 84.38 2.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.434 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 17.6 m-20 -47.88 -33.96 8.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.376 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.11 -34.1 20.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.05 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 75.5 p -125.26 16.19 8.37 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt 48.79 35.55 6.63 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.734 0.302 . . . . 0.0 110.633 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.448 ' CG2' HG13 ' A' ' 6' ' ' ILE . 96.1 m -125.28 142.0 51.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.084 0.468 . . . . 0.0 111.708 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.512 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 6.6 m-85 -107.63 139.15 42.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.392 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -116.24 125.72 52.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.198 0.523 . . . . 0.0 111.012 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.5 t -113.89 119.25 60.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.149 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.574 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 8.7 m -100.43 110.12 22.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.526 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.507 ' OE1' ' HA2' ' A' ' 9' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.142 -0.933 . . . . 0.0 112.268 -178.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 . . . . . 0 N--CA 1.456 -0.164 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -130.48 147.51 52.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.696 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.44 ' HB3' ' NZ ' ' A' ' 4' ' ' LYS . 7.1 ttpm? -104.29 112.43 25.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.755 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.542 ' HB ' HG22 ' A' ' 16' ' ' THR . 68.0 t -95.68 131.51 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.18 0.514 . . . . 0.0 110.024 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.501 ' CG2' ' OD1' ' A' ' 8' ' ' ASN . 57.8 mt -109.82 128.58 65.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.686 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.455 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 13.6 mt -107.64 96.05 6.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.733 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.694 ' O ' ' HA ' ' B' ' 55' ' ' THR . 3.3 m120 -105.75 111.1 23.63 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.932 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.08 -166.04 13.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.739 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -83.72 -55.97 3.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.029 0.442 . . . . 0.0 110.09 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.3 p -100.66 -2.66 32.1 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.242 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.497 HD13 ' OG1' ' B' ' 16' ' ' THR . 20.5 tp -136.84 135.55 38.0 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.053 0.454 . . . . 0.0 111.406 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -145.57 147.84 32.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.493 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.497 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.99 -170.76 42.05 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.007 -1.092 . . . . 0.0 113.537 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 51.4 mp0 -138.9 150.06 45.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.734 0.302 . . . . 0.0 110.522 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.542 HG22 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -151.18 169.01 22.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 -179.514 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.3 p -143.59 122.28 12.59 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.473 ' CA ' HD12 ' B' ' 12' ' ' LEU . 14.9 t -111.37 146.06 37.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.918 178.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -107.06 117.83 35.09 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.4 150.49 33.62 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.126 0.488 . . . . 0.0 111.855 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.7 t -50.84 -24.49 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.952 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -160.33 176.3 11.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.838 0.351 . . . . 0.0 111.605 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.34 -41.81 90.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.51 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.22 -53.12 58.07 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.1 p -53.23 -46.18 69.03 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.16 -51.86 67.96 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 2.7 tm-20 -53.03 -46.8 68.61 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.378 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -64.55 -49.57 70.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.409 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.3 t -54.59 -41.34 54.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.865 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.416 HG12 ' CH2' ' B' ' 43' ' ' TRP . 65.3 t -62.02 -45.91 97.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.482 178.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 10.9 mmtm -49.41 -49.02 46.67 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.06 0.457 . . . . 0.0 110.147 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -59.27 -39.7 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.197 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' B' ' 7' ' ' LEU . 40.2 t80 -51.82 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.972 179.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 28.1 m-85 -67.81 -38.86 83.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.019 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -50.53 -37.96 42.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.471 0.653 . . . . 0.0 109.731 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.22 -23.88 17.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.31 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.43 ' O ' ' HA3' ' A' ' 41' ' ' GLY . 85.3 m-20 -82.22 -43.47 17.59 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.914 0.387 . . . . 0.0 110.237 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.443 ' HA2' ' CB ' ' B' ' 34' ' ' PHE . . . -13.91 -114.19 0.0 OUTLIER Glycine 0 CA--C 1.519 0.308 0 N-CA-C 116.663 1.425 . . . . 0.0 116.663 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -77.54 -55.52 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -176.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.35 24.92 3.63 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 37' ' ' ASN . . . -63.31 141.95 46.67 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.124 -1.036 . . . . 0.0 112.256 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -87.79 103.16 15.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.7 0.286 . . . . 0.0 110.281 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.517 ' CH2' ' HD3' ' B' ' 31' ' ' LYS . 3.7 m0 -120.81 148.83 43.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.056 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.5 p -118.05 146.96 43.7 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 10.0 t80 -111.6 142.83 43.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.378 . . . . 0.0 111.716 -179.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -123.02 85.54 2.44 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.63 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.422 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 12.2 m-20 -46.61 -38.79 10.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.748 -179.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.89 -32.53 14.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.147 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.7 p -128.4 12.75 6.51 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 mttp 49.14 34.32 5.82 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.89 0.376 . . . . 0.0 110.545 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.6 m -118.24 141.64 48.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.527 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.1 m-85 -113.36 147.5 37.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.112 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -122.58 128.61 50.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.982 0.42 . . . . 0.0 110.998 178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.435 HG23 ' CD2' ' A' ' 43' ' ' TRP . 67.9 t -104.07 104.46 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.325 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.693 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 25.0 m -100.68 118.14 36.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.406 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.913 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.865 0.364 . . . . 0.0 111.47 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -108.79 146.17 34.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.165 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -130.41 147.57 52.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.663 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.444 ' NZ ' ' HB3' ' B' ' 4' ' ' LYS . 7.1 ttpm? -104.34 112.36 25.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.727 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.551 ' HB ' HG22 ' B' ' 16' ' ' THR . 67.5 t -95.57 131.58 41.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.156 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.495 ' CG2' ' OD1' ' B' ' 8' ' ' ASN . 57.9 mt -109.82 128.51 65.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.644 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 13.6 mt -107.61 96.21 6.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.68 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.693 ' O ' ' HA ' ' A' ' 55' ' ' THR . 3.3 m120 -105.88 111.04 23.54 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.931 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.06 -166.01 13.32 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.833 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -83.76 -55.79 4.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.136 0.493 . . . . 0.0 110.19 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 10.4 p -100.74 -2.7 31.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.316 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.492 HD13 ' OG1' ' A' ' 16' ' ' THR . 20.4 tp -136.83 135.6 38.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.064 0.459 . . . . 0.0 111.352 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -145.58 147.86 32.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.421 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.96 -170.82 42.15 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.064 -1.065 . . . . 0.0 113.625 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 51.4 mp0 -138.84 150.02 45.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.806 0.336 . . . . 0.0 110.541 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.551 HG22 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -151.09 169.09 22.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.919 -179.55 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 64.7 p -143.64 122.28 12.55 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.47 ' CA ' HD12 ' A' ' 12' ' ' LEU . 14.9 t -111.41 146.04 37.87 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.844 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -107.07 117.91 35.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.614 0.245 . . . . 0.0 110.354 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.36 150.55 33.77 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.13 0.49 . . . . 0.0 111.817 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 38.8 t -50.94 -24.57 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.894 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -160.25 176.35 11.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.8 0.333 . . . . 0.0 111.527 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.69 90.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.493 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.24 -53.09 58.46 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 58.2 p -53.35 -46.07 69.38 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.2 -51.85 68.02 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.551 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 2.6 tm-20 -53.04 -46.73 68.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.509 178.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -64.56 -49.67 70.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.402 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 66.8 t -54.54 -41.19 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.921 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.415 HG12 ' CH2' ' A' ' 43' ' ' TRP . 66.7 t -62.24 -45.72 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.453 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 10.9 mmtm -49.6 -48.99 48.53 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.92 0.391 . . . . 0.0 109.964 179.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -59.31 -39.67 83.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.198 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 7' ' ' LEU . 40.0 t80 -51.83 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.99 179.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.48 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 28.1 m-85 -67.86 -38.87 83.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.012 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -50.6 -37.94 42.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.535 0.683 . . . . 0.0 109.759 178.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.19 -23.77 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.717 -1.129 . . . . 0.0 112.399 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.431 ' O ' ' HA3' ' B' ' 41' ' ' GLY . 85.6 m-20 -82.24 -43.47 17.56 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.941 0.401 . . . . 0.0 110.187 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.451 ' HA2' ' CB ' ' A' ' 34' ' ' PHE . . . -13.92 -114.16 0.0 OUTLIER Glycine 0 C--N 1.332 0.343 0 N-CA-C 116.687 1.435 . . . . 0.0 116.687 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 97.6 t -77.54 -55.65 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -176.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.28 24.88 3.61 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . 0.431 ' HA3' ' O ' ' B' ' 37' ' ' ASN . . . -63.3 141.9 46.61 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.104 -1.046 . . . . 0.0 112.36 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -87.68 103.2 15.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.656 0.265 . . . . 0.0 110.309 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.514 ' CH2' ' HD3' ' A' ' 31' ' ' LYS . 3.7 m0 -120.8 148.88 43.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.092 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -118.08 146.95 43.73 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 10.0 t80 -111.57 142.87 43.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 111.667 -179.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -122.98 85.38 2.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.646 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.42 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 12.2 m-20 -46.49 -38.86 9.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.713 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.97 -32.59 15.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 67.7 p -128.19 12.71 6.62 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 16.8 mttp 49.11 34.31 5.71 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.034 0.445 . . . . 0.0 110.606 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 85.9 m -118.23 141.63 48.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.486 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.505 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.1 m-85 -113.25 147.55 37.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.122 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -122.6 128.64 50.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.997 0.427 . . . . 0.0 111.069 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.436 HG23 ' CD2' ' B' ' 43' ' ' TRP . 71.7 t -104.12 104.56 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.282 179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.694 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 25.3 m -100.71 118.11 36.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.422 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.821 -179.809 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 . . . . . 0 N--CA 1.455 -0.177 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.505 ' CD2' ' HB3' ' B' ' 50' ' ' LYS . 21.8 m-85 -124.88 143.69 50.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.662 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' B' ' 51' ' ' THR . 87.8 tttt -109.79 111.75 23.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.547 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.561 ' HB ' HG21 ' A' ' 16' ' ' THR . 57.5 t -94.98 134.83 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.102 0.477 . . . . 0.0 110.473 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.479 HD11 HG21 ' A' ' 6' ' ' ILE . 72.3 mt -107.16 122.73 61.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.865 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.47 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 18.8 mt -101.22 86.35 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.287 0.565 . . . . 0.0 109.817 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.623 ' O ' ' HA ' ' B' ' 55' ' ' THR . 32.7 t-20 -92.06 100.98 13.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.357 -178.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.0 153.92 16.69 Favored Glycine 0 N--CA 1.453 -0.168 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.009 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -54.3 -52.95 59.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.86 0.362 . . . . 0.0 111.616 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.43 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 10.4 p -96.64 -9.61 28.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.606 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.509 HD12 ' HB ' ' B' ' 18' ' ' THR . 12.0 tp -134.5 134.79 41.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.608 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -144.04 142.68 30.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.503 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.502 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.94 -166.77 35.48 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.27 -0.967 . . . . 0.0 113.265 -179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -147.97 143.76 27.52 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.32 0.581 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.561 HG21 ' HB ' ' A' ' 5' ' ' VAL . 4.7 t -138.97 169.23 18.17 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.168 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.0 p -143.33 121.3 12.05 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.509 ' HB ' HD12 ' B' ' 12' ' ' LEU . 11.1 t -110.85 146.6 36.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.459 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -107.63 120.17 41.48 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.22 152.23 35.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.218 0.532 . . . . 0.0 111.904 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.3 t -50.72 -26.08 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.749 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 58.9 p30 -159.57 175.5 13.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 111.367 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.52 -41.62 81.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.688 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.09 -54.95 29.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.8 p -51.53 -45.7 63.03 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.74 -53.06 62.42 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 8.9 tm-20 -52.81 -46.58 67.75 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.37 179.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -62.48 -46.23 89.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.033 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.432 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 57.6 t -58.06 -38.51 67.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.015 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 65.7 t -64.62 -47.81 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.747 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 3.7 mmmp? -49.62 -51.24 38.98 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.007 0.432 . . . . 0.0 110.096 178.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -58.45 -38.58 77.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.02 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' B' ' 7' ' ' LEU . 24.4 t80 -51.14 -67.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.012 179.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 28.6 m-85 -65.09 -37.24 86.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.641 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.416 ' ND2' HG22 ' B' ' 39' ' ' VAL . 29.8 t-20 -52.12 -38.51 57.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.547 0.689 . . . . 0.0 109.638 178.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -94.23 -25.64 16.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.396 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 38' ' ' GLY . 84.8 m-20 -79.22 -42.59 25.63 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.074 0.464 . . . . 0.0 110.042 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -8.51 -115.51 0.0 OUTLIER Glycine 0 CA--C 1.52 0.401 0 CA-C-N 114.499 -1.228 . . . . 0.0 115.896 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.48 ' HA ' ' NZ ' ' B' ' 31' ' ' LYS . 95.3 t -80.33 -55.49 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 -176.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.75 26.23 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.74 143.49 46.85 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.037 -1.078 . . . . 0.0 112.426 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -79.74 96.59 6.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.74 0.305 . . . . 0.0 110.295 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.752 ' CH2' ' HD2' ' B' ' 31' ' ' LYS . 6.6 m0 -110.14 134.73 51.9 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -178.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.401 ' OG1' ' OG1' ' A' ' 53' ' ' THR . 69.0 p -111.54 141.48 45.06 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.498 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 19.3 t80 -111.38 144.42 40.61 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -123.77 81.91 1.96 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.011 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.23 -36.97 6.6 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.074 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.98 -31.99 14.03 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.5 p -128.75 12.96 6.36 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.507 ' HB3' ' CD2' ' B' ' 3' ' ' TYR . 3.8 mppt? 49.27 33.84 5.62 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.007 0.432 . . . . 0.0 110.707 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 88.8 m -117.29 135.22 53.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.281 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 2.8 m-85 -108.27 148.69 29.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.962 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.401 ' OG1' ' OG1' ' A' ' 44' ' ' THR . 3.0 p -121.28 112.79 19.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.225 0.536 . . . . 0.0 111.914 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.8 t -91.16 107.89 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.999 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.623 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 34.7 m -104.23 119.58 39.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.763 -178.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.152 -0.927 . . . . 0.0 110.892 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.839 0.352 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -101.89 140.96 35.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.105 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.507 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 21.3 m-85 -124.92 143.64 50.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.705 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 51' ' ' THR . 87.8 tttt -109.73 111.61 23.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.544 -178.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.565 ' HB ' HG21 ' B' ' 16' ' ' THR . 57.5 t -94.96 134.91 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.141 0.496 . . . . 0.0 110.466 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.458 HD11 HG21 ' B' ' 6' ' ' ILE . 72.1 mt -107.24 122.63 61.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.818 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 18.6 mt -101.09 86.26 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.285 0.564 . . . . 0.0 109.904 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.623 ' O ' ' HA ' ' A' ' 55' ' ' THR . 32.7 t-20 -92.1 101.17 13.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.255 -178.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.23 153.85 16.7 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.97 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -54.13 -53.16 57.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 111.561 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.432 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 10.7 p -96.49 -9.6 29.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.66 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.509 HD12 ' HB ' ' A' ' 18' ' ' THR . 11.8 tp -134.54 134.95 41.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.499 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -144.07 142.65 30.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.536 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.93 -166.79 35.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.234 -0.984 . . . . 0.0 113.162 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -147.93 143.77 27.57 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.244 0.545 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.565 HG21 ' HB ' ' B' ' 5' ' ' VAL . 4.8 t -138.97 169.24 18.15 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.146 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 68.7 p -143.29 121.22 12.02 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.509 ' HB ' HD12 ' A' ' 12' ' ' LEU . 11.1 t -110.81 146.53 36.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.35 178.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -107.6 120.15 41.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.23 152.12 35.43 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.249 0.547 . . . . 0.0 111.891 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -50.55 -26.12 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.809 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 58.9 p30 -159.54 175.5 13.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.946 0.403 . . . . 0.0 111.449 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.46 -41.69 81.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.754 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.97 -54.93 30.66 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 41.7 p -51.52 -45.72 63.01 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.78 -53.11 61.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 8.9 tm-20 -52.75 -46.49 67.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.414 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -62.62 -46.26 89.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.931 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.43 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 57.6 t -58.02 -38.57 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.016 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 66.0 t -64.6 -47.79 87.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.752 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 3.7 mmmp? -49.62 -51.4 37.89 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.022 0.439 . . . . 0.0 110.067 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -58.41 -38.39 77.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.078 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 7' ' ' LEU . 24.5 t80 -51.34 -67.89 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.928 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.459 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 28.5 m-85 -65.07 -37.25 86.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.652 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.413 ' ND2' HG22 ' A' ' 39' ' ' VAL . 29.8 t-20 -52.06 -38.58 57.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.512 0.672 . . . . 0.0 109.546 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -94.3 -25.45 17.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.781 -1.099 . . . . 0.0 112.452 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' B' ' 38' ' ' GLY . 84.7 m-20 -79.33 -42.5 25.56 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.099 0.476 . . . . 0.0 110.087 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -8.68 -115.25 0.0 OUTLIER Glycine 0 CA--C 1.52 0.378 0 CA-C-N 114.506 -1.224 . . . . 0.0 116.029 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.479 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 96.6 t -80.52 -55.48 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 -176.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.73 26.1 2.85 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -177.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.63 143.29 46.67 Favored Glycine 0 CA--C 1.522 0.511 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.413 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -79.51 96.54 6.13 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.747 0.308 . . . . 0.0 110.371 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.747 ' CH2' ' HD2' ' A' ' 31' ' ' LYS . 6.7 m0 -110.16 134.79 51.84 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.403 ' OG1' ' OG1' ' B' ' 53' ' ' THR . 68.6 p -111.52 141.65 44.81 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.501 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 19.2 t80 -111.52 144.35 40.89 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -123.6 81.77 1.94 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.065 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.09 -37.07 6.37 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.113 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.84 -32.07 13.37 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.6 p -128.64 12.77 6.39 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.505 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 3.8 mppt? 49.22 34.08 5.75 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.063 0.459 . . . . 0.0 110.592 -179.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 88.5 m -117.34 135.28 53.96 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.269 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.501 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 2.8 m-85 -108.38 148.76 29.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.911 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.403 ' OG1' ' OG1' ' B' ' 44' ' ' THR . 3.1 p -121.26 112.64 18.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.247 0.546 . . . . 0.0 111.965 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.7 t -91.08 107.88 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.975 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.623 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 35.3 m -104.22 119.71 39.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.668 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.946 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 N--CA 1.456 -0.152 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.434 ' CE2' ' HD2' ' B' ' 50' ' ' LYS . 2.6 m-85 -128.95 148.3 50.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.842 0.353 . . . . 0.0 111.007 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.473 ' HB2' ' NZ ' ' A' ' 4' ' ' LYS . 4.8 ttmp? -106.81 109.2 21.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.643 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.458 ' O ' HG23 ' A' ' 16' ' ' THR . 61.6 t -94.54 129.21 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.264 0.554 . . . . 0.0 111.344 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.426 HG13 ' CG2' ' B' ' 51' ' ' THR . 76.5 mt -100.8 116.33 44.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.361 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.426 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.8 mt -95.06 85.48 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.792 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.603 ' O ' ' HA ' ' B' ' 55' ' ' THR . 33.7 t-20 -96.8 107.25 19.7 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.736 -178.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.79 -165.92 14.58 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.359 -0.924 . . . . 0.0 112.621 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -75.35 -58.12 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.422 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 11.5 p -109.66 10.32 24.91 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.228 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.557 ' HB3' ' CD1' ' B' ' 33' ' ' PHE . 24.4 tp -138.44 138.93 38.61 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.061 0.458 . . . . 0.0 111.457 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -145.29 145.43 31.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.473 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.465 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.46 -173.42 43.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.151 -1.023 . . . . 0.0 113.305 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -141.25 136.67 31.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.9 0.381 . . . . 0.0 110.459 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.463 ' HA ' ' HA3' ' B' ' 14' ' ' GLY . 0.1 OUTLIER -134.9 167.66 20.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.103 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.6 p -143.54 118.68 10.11 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.516 ' CA ' HD13 ' B' ' 12' ' ' LEU . 12.4 t -107.87 146.28 32.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.708 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -105.3 116.0 31.21 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.417 ' HB2' ' HA ' ' A' ' 26' ' ' ALA . . . -146.81 149.45 33.35 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.188 0.518 . . . . 0.0 111.956 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.12 -36.51 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.15 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -145.15 171.99 13.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.856 0.36 . . . . 0.0 111.282 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.8 86.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.652 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.51 -54.23 43.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.086 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.6 p -52.0 -46.11 64.79 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.417 ' HA ' ' HB2' ' A' ' 20' ' ' ALA . . . -59.33 -53.03 62.86 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.212 178.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -51.35 -46.89 62.85 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.218 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -63.39 -46.9 84.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.9 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.422 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 92.5 t -55.1 -43.43 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.133 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.592 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 40.9 t -64.53 -47.35 89.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 57.9 mtpt -51.76 -46.13 63.98 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.061 178.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.85 -38.65 82.7 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.592 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 60.8 t80 -52.59 -65.52 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.927 178.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.445 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 27.7 m-85 -65.45 -38.22 89.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.565 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 31.6 t-20 -52.04 -38.43 56.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.487 0.66 . . . . 0.0 109.949 178.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.432 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 58.3 m-20 -94.04 -23.35 18.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.865 -1.062 . . . . 0.0 112.333 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.497 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 85.8 m-20 -82.36 -46.36 13.67 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.534 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -9.23 -111.55 0.0 OUTLIER Glycine 0 CA--C 1.521 0.449 0 N-CA-C 115.631 1.013 . . . . 0.0 115.631 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.412 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 19.7 t -110.39 5.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -176.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -125.15 10.79 8.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 118.568 0.622 . . . . 0.0 111.873 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.49 171.48 54.1 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.181 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -97.72 102.21 13.92 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.446 ' CZ3' HG12 ' B' ' 30' ' ' VAL . 9.1 m95 -97.9 119.68 36.94 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.9 p -109.54 137.77 46.89 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.5 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 18.5 t80 -111.22 144.35 40.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.076 0.465 . . . . 0.0 111.946 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -123.58 81.7 1.93 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.283 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.92 -35.3 10.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.718 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.94 -33.45 17.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.972 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.9 p -128.29 12.25 6.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.681 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.435 ' HD2' ' CE2' ' B' ' 3' ' ' TYR . 20.4 mtmt 52.81 31.69 11.01 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.802 0.334 . . . . 0.0 110.728 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 93.6 m -117.49 140.52 49.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.088 0.471 . . . . 0.0 112.086 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.8 m-85 -110.33 142.45 41.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.068 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -117.45 101.56 8.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.186 0.517 . . . . 0.0 111.726 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.0 t -82.82 106.96 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.82 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.601 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 18.9 m -97.78 111.24 23.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.361 -179.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.432 ' HG2' ' HB2' ' A' ' 36' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.298 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 82.1 mtp . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.917 0.389 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -107.87 145.24 33.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.099 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.435 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 2.5 m-85 -128.87 148.26 50.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.836 0.35 . . . . 0.0 111.098 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.477 ' NZ ' ' HB2' ' B' ' 4' ' ' LYS . 4.8 ttmp? -106.68 109.24 21.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.755 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.457 ' O ' HG23 ' B' ' 16' ' ' THR . 61.4 t -94.7 129.26 45.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.287 0.565 . . . . 0.0 111.269 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.429 HG13 ' CG2' ' A' ' 51' ' ' THR . 76.4 mt -100.81 116.39 44.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.244 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.7 mt -94.99 85.3 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.909 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.601 ' O ' ' HA ' ' A' ' 55' ' ' THR . 33.7 t-20 -96.73 107.18 19.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.774 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.74 -165.94 14.61 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.394 -0.908 . . . . 0.0 112.71 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -75.39 -58.14 3.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.822 0.344 . . . . 0.0 111.066 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.422 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 11.4 p -109.63 10.22 24.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.556 ' HB3' ' CD1' ' A' ' 33' ' ' PHE . 24.1 tp -138.41 138.8 38.56 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.069 0.461 . . . . 0.0 111.464 -179.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -145.29 145.37 31.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.463 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.463 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.45 -173.49 43.87 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.109 -1.043 . . . . 0.0 113.24 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -141.11 136.63 32.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.853 0.359 . . . . 0.0 110.515 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.465 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -134.76 167.66 20.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.079 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 60.0 p -143.59 118.67 10.07 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.511 ' CA ' HD13 ' A' ' 12' ' ' LEU . 12.4 t -107.81 146.31 32.41 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.588 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -105.4 116.17 31.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.41 ' HB2' ' HA ' ' B' ' 26' ' ' ALA . . . -146.98 149.42 33.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.231 0.539 . . . . 0.0 111.911 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.14 -36.47 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.366 -0.833 . . . . 0.0 112.129 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -145.25 172.0 13.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.8 0.333 . . . . 0.0 111.199 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.19 -42.77 86.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.582 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.58 -54.26 42.31 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 75.8 p -52.0 -46.01 64.74 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.41 ' HA ' ' HB2' ' B' ' 20' ' ' ALA . . . -59.28 -52.97 63.39 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.353 177.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -51.39 -47.08 63.02 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.15 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -63.12 -46.91 85.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.95 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.422 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 93.1 t -55.25 -43.16 69.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.307 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.598 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 41.2 t -64.64 -47.37 89.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 58.1 mtpt -51.83 -46.05 64.18 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.136 178.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.79 -38.72 82.71 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.598 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 60.6 t80 -52.45 -65.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.913 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.445 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 27.8 m-85 -65.5 -38.23 89.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.584 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' B' ' 31' ' ' LYS . 31.6 t-20 -52.02 -38.48 57.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.431 0.634 . . . . 0.0 109.797 178.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.438 ' HB2' ' HG2' ' B' ' 56' ' ' GLU . 58.0 m-20 -94.04 -23.37 18.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.91 -1.041 . . . . 0.0 112.3 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.495 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 85.6 m-20 -82.19 -46.45 13.74 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.964 0.412 . . . . 0.0 110.557 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -9.26 -111.72 0.0 OUTLIER Glycine 0 CA--C 1.522 0.472 0 N-CA-C 115.709 1.043 . . . . 0.0 115.709 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.41 HG23 ' ND2' ' A' ' 35' ' ' ASN . 19.0 t -110.19 5.4 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -176.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -125.27 11.03 8.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 118.651 0.659 . . . . 0.0 111.83 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.91 171.59 53.87 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.555 -0.831 . . . . 0.0 113.197 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -97.76 102.09 13.76 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.442 ' CZ3' HG12 ' A' ' 30' ' ' VAL . 9.1 m95 -97.87 119.43 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -178.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 75.1 p -109.37 137.86 46.61 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.5 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 18.4 t80 -111.25 144.25 40.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.088 0.47 . . . . 0.0 111.862 -178.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -123.5 81.65 1.92 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.293 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.8 -35.46 10.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.712 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.85 -33.53 17.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.933 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.9 p -128.23 12.28 6.54 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.434 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 20.3 mtmt 52.68 31.79 10.88 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.787 0.327 . . . . 0.0 110.686 -179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 94.1 m -117.59 140.5 49.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.208 0.528 . . . . 0.0 111.976 -178.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.8 m-85 -110.31 142.42 41.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.137 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -117.46 101.6 8.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.133 0.492 . . . . 0.0 111.801 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.8 106.83 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.874 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.603 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 18.0 m -97.52 111.16 23.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.482 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.438 ' HG2' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.305 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.589 0.233 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.456 ' CE2' ' HE2' ' B' ' 50' ' ' LYS . 10.1 m-85 -126.82 152.71 46.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.974 0.416 . . . . 0.0 111.032 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' B' ' 51' ' ' THR . 17.6 tppt? -98.59 128.95 45.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.569 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.465 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.9 t -119.04 119.02 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.492 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' B' ' 53' ' ' THR . 63.4 mt -102.72 124.51 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.131 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.444 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 17.4 mt -106.21 94.57 5.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.39 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.599 ' O ' ' HA ' ' B' ' 55' ' ' THR . 81.9 m-20 -103.29 108.85 20.24 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.34 -0.391 . . . . 0.0 112.027 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.05 -165.64 14.36 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.234 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -78.28 -57.51 3.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.887 0.375 . . . . 0.0 111.001 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.468 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 7.7 p -106.61 7.25 30.57 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.572 -178.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.513 HD12 ' CA ' ' B' ' 18' ' ' THR . 22.4 tp -136.2 135.45 39.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.047 0.451 . . . . 0.0 111.45 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -137.9 137.9 38.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.033 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -173.84 -176.12 42.04 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 119.821 -1.18 . . . . 0.0 113.641 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -143.33 141.85 31.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.886 0.374 . . . . 0.0 110.497 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.465 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -141.64 168.87 18.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.01 -179.437 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.401 ' C ' ' CD1' ' B' ' 12' ' ' LEU . 70.2 p -143.74 122.85 12.88 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -179.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.519 ' CA ' HD12 ' B' ' 12' ' ' LEU . 10.8 t -109.45 146.36 34.65 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.144 179.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -106.1 117.17 33.35 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.416 ' HB2' ' HA ' ' A' ' 26' ' ' ALA . . . -148.56 149.57 31.81 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.212 0.529 . . . . 0.0 111.954 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -51.18 -36.51 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.141 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -146.18 172.68 13.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.818 0.342 . . . . 0.0 111.341 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.03 -43.17 86.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.572 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.22 -54.74 36.63 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 77.6 p -52.4 -45.8 66.04 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.416 ' HA ' ' HB2' ' A' ' 20' ' ' ALA . . . -59.28 -53.39 58.84 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.09 178.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -49.37 -48.33 46.93 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.277 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.35 -46.71 87.44 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.077 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.467 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 89.0 t -55.2 -43.38 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.351 179.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.567 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 60.5 t -65.87 -49.31 77.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HA ' ' CH2' ' B' ' 43' ' ' TRP . 50.4 mtpt -53.88 -43.81 69.93 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.443 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.93 -37.8 83.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.431 0.634 . . . . 0.0 109.368 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.567 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 53.5 t80 -52.99 -64.29 0.87 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.851 179.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.411 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 32.2 m-85 -67.73 -39.69 84.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.066 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.481 ' ND2' ' CG2' ' B' ' 39' ' ' VAL . 31.0 t-20 -51.31 -39.01 56.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.577 0.703 . . . . 0.0 109.756 178.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.409 ' CB ' ' OE2' ' A' ' 56' ' ' GLU . 1.3 m-20 -94.68 -25.59 16.66 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.637 -1.165 . . . . 0.0 112.727 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.505 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.0 m-20 -77.21 -39.24 49.4 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.983 0.42 . . . . 0.0 110.091 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.39 -116.88 0.0 OUTLIER Glycine 0 CA--C 1.521 0.466 0 CA-C-N 114.614 -1.175 . . . . 0.0 115.725 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.479 ' CG2' ' ND2' ' B' ' 35' ' ' ASN . 60.4 t -83.54 -55.64 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 -175.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -88.8 25.7 1.7 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -176.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.19 149.1 51.68 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 119.918 -1.134 . . . . 0.0 112.052 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -78.04 91.65 4.28 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.886 0.343 . . . . 0.0 110.274 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.436 ' CZ3' HG13 ' B' ' 30' ' ' VAL . 8.6 m0 -101.57 125.04 48.16 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.6 p -107.82 139.95 41.65 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 13.0 t80 -112.67 141.04 46.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.111 0.481 . . . . 0.0 111.904 -178.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -123.61 82.92 2.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.267 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.05 -37.09 19.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.339 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.29 -32.49 56.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.54 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.8 p -115.5 7.76 15.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.672 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.457 ' HE2' ' CE2' ' B' ' 3' ' ' TYR . 11.9 mmmm 49.28 33.2 4.98 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.77 0.319 . . . . 0.0 110.715 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 90.9 m -125.18 153.55 42.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.147 0.499 . . . . 0.0 111.908 -178.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 1.9 m-85 -121.68 143.96 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.901 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.548 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 3.0 p -122.42 128.53 51.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.118 0.485 . . . . 0.0 111.577 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.9 t -103.68 104.17 16.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.678 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.603 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 26.5 m -95.43 112.2 23.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.988 -178.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.409 ' OE2' ' CB ' ' A' ' 36' ' ' ASP . 16.8 tp10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.111 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.726 0.298 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -106.89 139.88 40.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.607 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.457 ' CE2' ' HE2' ' A' ' 50' ' ' LYS . 10.0 m-85 -126.75 152.75 46.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.973 0.416 . . . . 0.0 111.086 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 51' ' ' THR . 17.6 tppt? -98.64 129.13 45.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.598 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.465 ' HB ' HG23 ' B' ' 16' ' ' THR . 62.1 t -119.17 118.99 59.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.481 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.548 ' O ' ' HA ' ' A' ' 53' ' ' THR . 63.8 mt -102.62 124.37 56.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.283 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 17.5 mt -106.09 94.62 5.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.386 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.603 ' O ' ' HA ' ' A' ' 55' ' ' THR . 81.9 m-20 -103.42 108.96 20.41 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.966 -179.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.92 -165.69 14.44 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.282 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -78.37 -57.37 3.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.851 0.358 . . . . 0.0 111.083 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.467 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 7.7 p -106.59 7.27 30.63 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.561 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.519 HD12 ' CA ' ' A' ' 18' ' ' THR . 22.8 tp -136.19 135.49 39.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.084 0.468 . . . . 0.0 111.488 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -137.92 137.88 38.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.015 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -173.86 -176.16 42.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 119.932 -1.128 . . . . 0.0 113.691 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -143.24 141.94 31.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.881 0.372 . . . . 0.0 110.488 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.465 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -141.7 168.84 18.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.987 -179.454 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.401 ' C ' ' CD1' ' A' ' 12' ' ' LEU . 70.7 p -143.78 122.97 12.95 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.513 ' CA ' HD12 ' A' ' 12' ' ' LEU . 10.7 t -109.55 146.26 34.96 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.102 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -106.0 117.15 33.29 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.408 ' HB2' ' HA ' ' B' ' 26' ' ' ALA . . . -148.48 149.62 31.98 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.233 0.54 . . . . 0.0 111.974 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -51.09 -36.56 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.166 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -146.21 172.7 13.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.818 0.342 . . . . 0.0 111.346 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.1 -43.1 86.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.528 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.11 -54.86 35.23 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 77.1 p -52.42 -45.85 66.12 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.408 ' HA ' ' HB2' ' B' ' 20' ' ' ALA . . . -59.18 -53.34 59.38 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.194 177.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -49.37 -48.35 46.93 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.223 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.42 -46.64 87.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.121 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.468 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 89.0 t -55.29 -43.42 71.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.264 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.567 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 61.2 t -65.87 -49.28 78.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.425 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . 50.4 mtpt -53.7 -43.93 69.38 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.46 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.97 -37.87 83.93 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.567 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 53.2 t80 -52.83 -64.41 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.897 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.412 ' CZ ' HD21 ' B' ' 7' ' ' LEU . 31.9 m-85 -67.59 -39.82 84.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.132 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.479 ' ND2' ' CG2' ' A' ' 39' ' ' VAL . 30.9 t-20 -51.32 -38.92 55.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.596 0.712 . . . . 0.0 109.759 178.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.41 ' CB ' ' OE2' ' B' ' 56' ' ' GLU . 1.3 m-20 -94.67 -25.69 16.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.626 -1.17 . . . . 0.0 112.714 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.498 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.0 m-20 -77.13 -39.27 49.92 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.03 0.443 . . . . 0.0 110.213 179.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.35 -116.77 0.0 OUTLIER Glycine 0 CA--C 1.521 0.461 0 CA-C-N 114.504 -1.226 . . . . 0.0 115.829 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.481 ' CG2' ' ND2' ' A' ' 35' ' ' ASN . 61.7 t -83.79 -55.57 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 -175.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -88.73 25.71 1.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.42 149.2 51.61 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 119.722 -1.227 . . . . 0.0 112.044 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -78.03 91.64 4.28 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.798 0.299 . . . . 0.0 110.353 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.433 ' CZ3' HG13 ' A' ' 30' ' ' VAL . 8.7 m0 -101.53 125.12 48.13 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 72.2 p -107.77 139.98 41.52 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 12.9 t80 -112.7 141.07 46.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.042 0.449 . . . . 0.0 111.944 -178.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -123.66 82.98 2.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.158 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.99 -37.16 19.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.37 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.31 -32.48 56.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.566 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 77.2 p -115.44 7.67 15.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.678 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.456 ' HE2' ' CE2' ' A' ' 3' ' ' TYR . 11.9 mmmm 49.35 33.13 5.04 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.769 0.319 . . . . 0.0 110.751 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 91.0 m -125.18 153.51 42.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.173 0.511 . . . . 0.0 111.824 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 2.0 m-85 -121.66 143.91 49.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.917 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.547 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.0 p -122.36 128.52 51.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.116 0.484 . . . . 0.0 111.607 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.6 t -103.61 104.14 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.759 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 26.7 m -95.41 112.28 24.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.983 0.421 . . . . 0.0 111.959 -178.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.41 ' OE2' ' CB ' ' B' ' 36' ' ' ASP . 16.7 tp10 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.114 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.769 0.319 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.407 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 23.0 m-85 -123.59 145.06 49.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.762 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.502 ' O ' ' HA ' ' B' ' 51' ' ' THR . 53.6 tptt -102.08 103.59 14.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.169 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.453 ' HB ' HG21 ' A' ' 16' ' ' THR . 61.1 t -94.39 124.01 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.328 0.585 . . . . 0.0 111.502 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.444 HG23 ' ND2' ' A' ' 8' ' ' ASN . 73.4 mt -101.9 129.21 53.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.776 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mt -108.95 83.47 1.76 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.302 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.529 ' O ' ' HA ' ' B' ' 55' ' ' THR . 79.4 m-20 -90.23 111.06 22.1 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.07 -168.95 14.89 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.127 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.464 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.3 mtmp? -82.08 -58.11 3.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.99 0.424 . . . . 0.0 110.435 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.428 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 6.8 p -100.22 0.04 39.6 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.641 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.509 HD13 ' CA ' ' B' ' 18' ' ' THR . 16.3 tp -137.53 137.67 38.85 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -144.97 144.74 31.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.902 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.505 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.4 -167.24 37.13 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 119.816 -1.183 . . . . 0.0 113.323 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.462 ' HB3' ' HE3' ' A' ' 4' ' ' LYS . 40.0 mt-10 -148.59 155.3 40.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 110.63 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.502 ' HA ' ' HA3' ' B' ' 14' ' ' GLY . 0.0 OUTLIER -150.96 169.07 22.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.814 -179.67 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.8 p -143.08 118.65 10.39 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.518 ' CA ' HD13 ' B' ' 12' ' ' LEU . 11.9 t -106.18 143.22 34.62 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.571 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -104.28 114.91 29.47 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.44 ' HB3' ' HA ' ' A' ' 26' ' ' ALA . . . -149.16 152.63 36.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.349 0.595 . . . . 0.0 112.145 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.5 t -51.06 -37.63 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.088 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -143.84 169.25 18.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.062 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.407 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -56.56 -41.72 77.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.569 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.01 -54.71 34.06 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.4 p -52.47 -46.22 66.43 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.44 ' HA ' ' HB3' ' A' ' 20' ' ' ALA . . . -60.14 -52.13 66.63 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.136 178.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.408 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 89.3 tt0 -52.76 -48.74 66.57 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.712 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -57.67 -38.62 75.44 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.517 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.428 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 91.0 t -59.71 -37.27 70.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.407 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.46 ' CG1' ' CE2' ' A' ' 34' ' ' PHE . 20.6 t -66.21 -48.9 79.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.479 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.451 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 1.1 mptm? -48.05 -42.84 29.58 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.113 0.482 . . . . 0.0 110.131 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -69.42 -37.86 77.64 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.451 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 47.3 t80 -55.26 -56.77 16.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.242 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.46 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 25.1 m-85 -72.62 -42.27 64.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.575 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -48.88 -38.16 21.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.502 0.667 . . . . 0.0 110.11 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.52 -23.32 17.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.596 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.458 ' O ' ' C ' ' A' ' 38' ' ' GLY . 88.1 m-20 -78.34 -46.67 19.47 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -3.98 -121.88 0.0 OUTLIER Glycine 0 C--N 1.333 0.373 0 CA-C-N 114.734 -1.121 . . . . 0.0 115.657 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 43.5 t -111.66 4.08 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -176.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -125.0 13.75 8.45 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.872 -0.518 . . . . 0.0 112.215 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.45 178.62 51.6 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.911 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -97.28 100.97 12.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.818 0.342 . . . . 0.0 110.313 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.454 ' CH2' ' HD2' ' B' ' 31' ' ' LYS . 7.8 m0 -97.24 118.61 34.06 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.3 p -104.25 132.2 50.75 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 9.1 t80 -107.67 143.97 35.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 0.0 111.393 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -122.96 83.67 2.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.429 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 12.8 m-20 -47.62 -37.88 13.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.61 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.59 -32.12 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.139 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.4 p -128.24 15.12 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt 49.06 34.13 5.42 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.979 0.418 . . . . 0.0 110.056 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 86.7 m -113.19 141.7 46.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.836 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.509 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 96.7 m-85 -106.24 120.48 41.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.39 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -106.05 127.32 53.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.228 0.537 . . . . 0.0 111.624 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.6 t -113.97 112.77 41.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.488 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 10.0 m -99.67 113.88 26.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.023 0.44 . . . . 0.0 111.549 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.224 -0.893 . . . . 0.0 111.127 179.77 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.925 0.393 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -105.54 139.47 40.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.38 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -123.44 145.08 49.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.901 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 51' ' ' THR . 53.6 tptt -102.22 103.63 14.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.084 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.454 ' HB ' HG21 ' B' ' 16' ' ' THR . 61.5 t -94.27 124.05 46.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.292 0.567 . . . . 0.0 111.579 -179.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.441 HG23 ' ND2' ' B' ' 8' ' ' ASN . 73.4 mt -101.97 129.2 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.728 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mt -108.92 83.56 1.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.355 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.532 ' O ' ' HA ' ' A' ' 55' ' ' THR . 79.4 m-20 -90.31 111.17 22.27 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.03 -168.93 14.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.147 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.461 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.3 mtmp? -82.14 -58.05 3.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.004 0.431 . . . . 0.0 110.518 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.428 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 6.9 p -100.2 0.0 39.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.655 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.518 HD13 ' CA ' ' A' ' 18' ' ' THR . 16.3 tp -137.48 137.73 38.99 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -145.04 144.68 31.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.911 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.502 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.34 -167.3 37.26 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 119.868 -1.158 . . . . 0.0 113.347 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.452 ' HB3' ' HE3' ' B' ' 4' ' ' LYS . 40.1 mt-10 -148.54 155.36 41.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.033 0.444 . . . . 0.0 110.557 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.505 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -151.09 169.08 22.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.692 -179.717 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.5 p -143.01 118.55 10.37 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.509 ' CA ' HD13 ' A' ' 12' ' ' LEU . 11.9 t -106.12 143.21 34.57 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.646 178.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -104.25 114.86 29.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.508 0.194 . . . . 0.0 110.537 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' B' ' 26' ' ' ALA . . . -149.09 152.61 36.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.387 0.613 . . . . 0.0 112.169 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 20.7 t -51.09 -37.57 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.029 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -143.92 169.28 18.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.58 -41.76 77.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.632 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.93 -54.57 36.53 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 75.4 p -52.51 -46.08 66.51 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.441 ' HA ' ' HB3' ' B' ' 20' ' ' ALA . . . -60.33 -52.06 66.88 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.41 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 89.3 tt0 -52.69 -48.71 66.36 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -57.71 -38.74 75.78 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.48 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.428 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 90.6 t -59.66 -37.22 69.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.37 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.459 ' CG1' ' CE2' ' B' ' 34' ' ' PHE . 20.5 t -66.17 -48.9 79.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.454 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 1.1 mptm? -48.13 -42.8 30.24 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.954 0.407 . . . . 0.0 110.068 178.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -69.41 -37.76 77.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.45 ' CG ' HD21 ' A' ' 12' ' ' LEU . 47.0 t80 -55.19 -56.91 14.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.199 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.459 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 25.0 m-85 -72.65 -42.25 64.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.595 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -48.84 -38.16 21.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.392 0.615 . . . . 0.0 110.031 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.62 -23.28 17.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.93 -1.032 . . . . 0.0 112.572 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.462 ' O ' ' C ' ' B' ' 38' ' ' GLY . 88.0 m-20 -78.49 -46.39 19.75 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.11 -121.82 0.0 OUTLIER Glycine 0 C--N 1.333 0.373 0 CA-C-N 114.773 -1.103 . . . . 0.0 115.704 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' B' ' 39' ' ' VAL . 43.7 t -111.75 4.11 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -176.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -125.07 13.71 8.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.849 -0.532 . . . . 0.0 112.13 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.41 178.68 51.64 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.978 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -97.35 101.06 12.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.867 0.365 . . . . 0.0 110.233 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.451 ' CH2' ' HD2' ' A' ' 31' ' ' LYS . 7.9 m0 -97.42 118.65 34.37 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -178.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 60.0 p -104.3 132.17 50.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.56 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.515 ' CD1' ' CD1' ' B' ' 52' ' ' PHE . 9.2 t80 -107.66 144.13 35.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.902 0.382 . . . . 0.0 111.239 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -123.11 83.68 2.16 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 12.9 m-20 -47.77 -37.71 14.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.556 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.74 -32.0 12.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.143 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.0 p -128.28 15.07 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.403 ' HE3' ' CE2' ' A' ' 3' ' ' TYR . 31.8 mmmt 48.92 34.25 5.28 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.072 0.463 . . . . 0.0 110.039 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 87.5 m -113.22 141.69 46.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.799 -178.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.515 ' CD1' ' CD1' ' B' ' 45' ' ' TYR . 96.8 m-85 -106.16 120.35 41.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.487 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -106.07 127.3 53.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.309 0.576 . . . . 0.0 111.688 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.9 t -113.85 112.71 41.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.515 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.529 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 10.3 m -99.67 113.88 26.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.999 0.428 . . . . 0.0 111.574 -178.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.071 179.797 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 N--CA 1.456 -0.134 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -132.38 148.43 52.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.322 . . . . 0.0 110.86 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.475 ' O ' ' HA ' ' B' ' 51' ' ' THR . 28.9 ttpp -106.99 155.13 20.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.916 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.451 ' HB ' HG21 ' A' ' 16' ' ' THR . 55.0 t -137.2 128.18 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.29 0.567 . . . . 0.0 111.407 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 70.9 mt -94.98 113.86 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.275 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.435 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.4 mt -94.33 85.31 4.57 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.615 ' O ' ' HA ' ' B' ' 55' ' ' THR . 30.8 t-20 -95.2 106.96 19.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.531 -177.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.469 ' HA2' ' HG2' ' B' ' 56' ' ' GLU . . . -115.18 -170.29 16.23 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.266 -0.969 . . . . 0.0 112.373 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -76.26 -56.2 4.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.042 0.449 . . . . 0.0 110.452 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.455 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 4.1 p -107.36 6.84 28.74 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.152 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.491 HD12 ' CA ' ' B' ' 18' ' ' THR . 22.8 tp -138.39 138.55 38.34 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.185 0.517 . . . . 0.0 111.474 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.48 ' HB2' ' NZ ' ' A' ' 13' ' ' LYS . 10.4 mtmp? -145.25 146.11 31.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.392 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.445 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 177.32 -166.47 37.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.206 -0.997 . . . . 0.0 113.281 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -146.76 156.65 43.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 110.63 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.469 ' OG1' HD13 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -151.12 169.17 22.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.541 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.1 p -143.11 118.27 10.14 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.495 ' CA ' HD12 ' B' ' 12' ' ' LEU . 12.8 t -109.04 146.04 34.6 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.592 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -105.85 115.72 30.72 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.38 149.07 34.09 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 121.24 0.543 . . . . 0.0 111.732 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.3 t -50.88 -25.71 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.971 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -156.18 176.51 12.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.895 0.379 . . . . 0.0 111.4 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.81 96.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.395 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.04 -54.82 36.15 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.0 p -50.8 -45.65 59.42 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.68 -53.58 56.32 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.087 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.36 -47.56 62.74 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.651 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.61 -45.26 93.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.562 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.454 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 88.7 t -58.94 -40.15 79.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.418 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.565 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 58.1 t -64.76 -48.13 85.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.498 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 9.6 mtpm? -48.82 -51.26 30.4 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.024 0.44 . . . . 0.0 110.31 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.419 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 7.6 tt0 -60.3 -37.33 80.2 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.93 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.565 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 66.7 t80 -52.12 -55.77 18.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.812 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -72.1 -36.17 69.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.817 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.419 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 29.1 t-20 -50.06 -41.24 47.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.653 178.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -94.81 -22.76 17.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.816 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.8 m-20 -80.64 -46.68 15.25 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.079 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.86 -117.11 0.0 OUTLIER Glycine 0 CA--C 1.521 0.453 0 N-CA-C 115.539 0.975 . . . . 0.0 115.539 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.414 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 21.7 t -111.64 4.67 8.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -125.25 11.46 8.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 118.494 0.588 . . . . 0.0 112.091 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.62 176.13 54.22 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.993 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -94.52 98.62 10.97 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.717 0.294 . . . . 0.0 110.348 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.421 ' CZ3' HG11 ' B' ' 30' ' ' VAL . 10.7 m95 -94.36 115.17 27.35 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.7 p -109.31 136.81 48.15 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.492 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 8.3 t80 -110.73 144.46 39.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 111.534 -178.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -123.22 82.42 2.0 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.696 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.437 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 14.7 m-20 -45.9 -35.22 4.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.796 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.69 -33.34 15.56 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.9 p -128.11 16.5 6.72 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm 48.18 36.16 6.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.916 0.389 . . . . 0.0 110.597 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 93.9 m -127.24 140.13 52.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.594 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.492 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 6.3 m-85 -105.42 144.38 32.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.495 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -116.04 125.01 51.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.094 0.474 . . . . 0.0 110.75 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.6 t -108.37 111.69 37.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.325 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.618 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 23.2 m -102.03 113.96 27.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.745 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' HG2' ' HA2' ' B' ' 9' ' ' GLY . 19.1 pt-20 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.713 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.869 0.366 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -105.84 144.03 33.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.371 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -132.44 148.54 52.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.476 ' O ' ' HA ' ' A' ' 51' ' ' THR . 28.9 ttpp -107.04 155.17 20.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.918 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.444 ' HB ' HG21 ' B' ' 16' ' ' THR . 55.3 t -137.27 128.15 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.246 0.546 . . . . 0.0 111.377 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.402 HG13 ' CG2' ' A' ' 51' ' ' THR . 70.9 mt -94.9 113.93 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.24 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mt -94.37 85.26 4.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.618 ' O ' ' HA ' ' A' ' 55' ' ' THR . 30.9 t-20 -95.18 106.88 18.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.5 -177.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.473 ' HA2' ' HG2' ' A' ' 56' ' ' GLU . . . -115.19 -170.34 16.24 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.278 -0.963 . . . . 0.0 112.354 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.405 ' NZ ' ' HB3' ' B' ' 10' ' ' LYS . 5.4 mtpm? -76.23 -56.31 4.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.002 0.43 . . . . 0.0 110.403 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.454 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 4.1 p -107.2 6.69 28.93 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.2 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.495 HD12 ' CA ' ' A' ' 18' ' ' THR . 23.1 tp -138.24 138.6 38.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.145 0.498 . . . . 0.0 111.515 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.481 ' HB2' ' NZ ' ' B' ' 13' ' ' LYS . 10.4 mtmp? -145.3 146.08 31.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.391 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.444 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 177.37 -166.41 36.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.175 -1.012 . . . . 0.0 113.201 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -146.84 156.6 43.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 0.0 110.628 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.465 ' OG1' HD13 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -151.05 169.2 22.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.976 -179.551 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 55.0 p -143.09 118.36 10.2 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.491 ' CA ' HD12 ' A' ' 12' ' ' LEU . 12.9 t -109.15 145.94 34.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.569 178.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -105.77 115.66 30.61 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.32 149.04 34.11 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 121.144 0.497 . . . . 0.0 111.77 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.3 t -50.94 -25.64 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.981 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -156.19 176.49 12.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.926 0.393 . . . . 0.0 111.336 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.73 95.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.469 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 -54.69 37.35 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 57.3 p -50.94 -45.54 60.62 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.65 -53.6 56.17 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.176 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.23 -47.61 62.32 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.693 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.67 -45.15 94.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.566 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.455 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 86.5 t -59.08 -40.07 79.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.401 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.563 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 58.2 t -64.83 -48.06 85.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.498 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 9.6 mtpm? -48.82 -51.3 30.17 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.086 0.469 . . . . 0.0 110.294 178.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . 0.416 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 7.6 tt0 -60.26 -37.46 80.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.79 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.563 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 66.5 t80 -52.05 -55.73 18.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.788 178.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -72.18 -36.13 69.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.807 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.416 ' HB3' ' HA ' ' B' ' 32' ' ' GLN . 29.1 t-20 -50.0 -41.37 46.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.637 178.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -94.72 -22.82 17.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.737 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.497 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.8 m-20 -80.56 -46.63 15.43 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.108 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.89 -117.16 0.0 OUTLIER Glycine 0 C--N 1.334 0.462 0 CA-C-N 114.995 -1.002 . . . . 0.0 115.591 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 21.7 t -111.55 4.65 8.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -176.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -125.29 11.47 8.11 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.799 -0.563 . . . . 0.0 112.006 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.6 176.02 54.24 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 120.493 -0.861 . . . . 0.0 113.019 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -94.43 98.6 10.99 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.748 0.309 . . . . 0.0 110.321 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.427 ' CZ3' HG11 ' A' ' 30' ' ' VAL . 10.7 m95 -94.4 115.16 27.32 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 62.8 p -109.25 136.77 48.17 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.493 ' CD1' ' CD2' ' B' ' 52' ' ' PHE . 8.2 t80 -110.71 144.51 39.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 111.531 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -123.24 82.39 1.99 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.735 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.439 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 14.8 m-20 -45.88 -35.33 4.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.721 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.65 -33.28 15.14 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -128.12 16.41 6.71 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm 48.27 36.16 6.51 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.919 0.39 . . . . 0.0 110.611 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 93.9 m -127.17 140.16 52.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.54 -179.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.493 ' CD2' ' CD1' ' B' ' 45' ' ' TYR . 6.4 m-85 -105.47 144.49 32.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.47 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -116.15 124.96 51.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.056 0.455 . . . . 0.0 110.769 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 44.5 t -108.22 111.77 37.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.255 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.615 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 22.9 m -102.04 113.93 27.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.773 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.469 ' HG2' ' HA2' ' A' ' 9' ' ' GLY . 19.2 pt-20 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.834 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 N--CA 1.461 0.107 0 CA-C-O 120.88 0.371 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 1.3 m-85 -122.31 145.63 48.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.502 ' O ' ' HA ' ' B' ' 51' ' ' THR . 24.3 ttmm -110.97 107.65 17.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 111.455 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.699 ' HB ' HG23 ' A' ' 16' ' ' THR . 98.5 t -94.04 117.6 38.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.232 0.539 . . . . 0.0 110.585 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.472 HG13 ' CG2' ' B' ' 51' ' ' THR . 65.4 mt -94.42 130.0 43.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.36 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -107.99 92.26 3.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.431 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.585 ' O ' ' HA ' ' B' ' 55' ' ' THR . 6.0 m120 -97.21 106.67 19.03 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.907 -179.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.87 -171.18 18.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.297 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.456 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.5 mtmp? -76.64 -55.5 5.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.904 0.383 . . . . 0.0 110.77 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.486 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 3.2 p -107.62 6.53 27.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.187 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.501 HD12 ' HB ' ' B' ' 18' ' ' THR . 19.0 tp -138.36 138.68 38.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.095 0.474 . . . . 0.0 110.724 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -145.0 144.06 30.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.239 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.469 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.67 -168.24 37.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 119.982 -1.104 . . . . 0.0 113.373 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -150.17 143.08 24.8 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.341 0.591 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.699 HG23 ' HB ' ' A' ' 5' ' ' VAL . 4.0 t -136.02 169.08 18.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.773 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 76.9 p -142.96 119.24 10.85 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.5 ' HB ' HD12 ' B' ' 12' ' ' LEU . 14.3 t -109.68 144.44 38.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.577 178.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -106.82 113.84 27.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.608 0.242 . . . . 0.0 110.441 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.21 152.75 39.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.21 0.529 . . . . 0.0 112.053 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.1 t -50.59 -36.38 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.893 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.456 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 4.0 p-10 -142.55 166.92 23.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.2 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.421 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -57.1 -41.59 79.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.54 -54.81 30.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.89 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.456 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 20.6 p -52.89 -44.03 66.6 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -50.75 71.62 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.46 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 89.3 tt0 -54.99 -48.71 72.95 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.932 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -58.52 -39.35 79.89 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.353 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.483 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 97.2 t -59.95 -37.05 70.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.164 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.543 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 15.3 t -65.51 -47.88 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.419 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 1.0 OUTLIER -47.96 -44.1 29.97 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.144 0.497 . . . . 0.0 109.911 178.778 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.411 ' NE2' ' C ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -65.66 -37.0 85.3 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.461 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.543 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 60.8 t80 -55.8 -58.11 9.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.238 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.421 ' CE2' HG13 ' A' ' 30' ' ' VAL . 28.1 m-85 -72.51 -41.71 65.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.157 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -49.42 -38.32 28.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.492 0.663 . . . . 0.0 109.705 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.412 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 38.6 m-20 -94.62 -24.67 17.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.918 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.476 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.4 m-20 -78.37 -46.73 19.26 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -1.61 -121.28 0.0 OUTLIER Glycine 0 CA--C 1.519 0.339 0 CA-C-N 114.494 -1.23 . . . . 0.0 116.047 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.2 t -89.48 -43.79 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 115.899 1.815 . . . . 0.0 115.899 -175.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -99.37 28.67 4.4 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -177.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.63 169.83 54.13 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 119.926 -1.131 . . . . 0.0 111.74 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -91.06 95.74 10.25 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.887 0.343 . . . . 0.0 110.17 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.461 ' CH2' ' HD2' ' B' ' 31' ' ' LYS . 6.8 m0 -97.78 119.59 36.65 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.6 p -106.42 133.94 50.33 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 17.4 t80 -106.35 143.15 34.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.98 0.419 . . . . 0.0 111.828 -178.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -123.61 81.13 1.87 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.498 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.24 -35.46 7.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.502 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.23 -34.21 22.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.027 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.7 p -128.18 10.86 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.8 mttp 54.49 31.49 14.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.966 0.412 . . . . 0.0 110.567 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.506 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 95.9 m -105.0 148.7 26.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.352 -178.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.499 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 27.1 m-85 -122.58 96.23 4.95 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.296 0.57 . . . . 0.0 111.827 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -78.11 124.73 28.39 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.255 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.6 t -113.14 111.79 37.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.204 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.579 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 25.2 m -101.33 116.3 32.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.279 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.412 ' HG2' ' HB2' ' A' ' 36' ' ' ASP . 3.7 tm-20 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.623 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.619 ' HG3' ' CE1' ' B' ' 3' ' ' TYR . 4.7 ppp? . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -97.83 125.79 42.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.847 0.356 . . . . 0.0 111.446 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.619 ' CE1' ' HG3' ' B' ' 1' ' ' MET . 1.3 m-85 -122.17 145.61 48.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.41 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 51' ' ' THR . 24.3 ttmm -110.96 107.73 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.735 0.302 . . . . 0.0 111.408 -179.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.696 ' HB ' HG23 ' B' ' 16' ' ' THR . 97.7 t -94.22 117.73 38.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.369 0.604 . . . . 0.0 110.495 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.469 HG13 ' CG2' ' A' ' 51' ' ' THR . 66.0 mt -94.49 129.87 44.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.324 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -107.86 92.25 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.441 -178.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.579 ' O ' ' HA ' ' A' ' 55' ' ' THR . 6.0 m120 -97.14 106.62 18.98 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.926 -179.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.88 -171.22 18.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.36 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.454 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.5 mtmp? -76.66 -55.45 5.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.828 0.347 . . . . 0.0 110.778 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.483 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 3.3 p -107.58 6.51 28.01 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.22 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.5 HD12 ' HB ' ' A' ' 18' ' ' THR . 19.2 tp -138.43 138.66 38.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.009 0.433 . . . . 0.0 110.828 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -144.95 144.04 30.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.159 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.467 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.67 -168.09 37.39 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.055 -1.069 . . . . 0.0 113.406 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -150.23 143.11 24.76 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.362 0.601 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.696 HG23 ' HB ' ' B' ' 5' ' ' VAL . 4.0 t -136.05 169.11 18.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.752 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' B' ' 3' ' ' TYR . 76.1 p -142.97 119.23 10.83 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.501 ' HB ' HD12 ' A' ' 12' ' ' LEU . 14.1 t -109.69 144.49 37.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.548 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -106.74 113.78 27.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.556 0.217 . . . . 0.0 110.537 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.25 152.77 39.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.249 0.547 . . . . 0.0 111.93 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 17.1 t -50.65 -36.4 14.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.902 -178.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.455 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 4.0 p-10 -142.45 166.93 23.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.249 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.416 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -57.0 -41.77 79.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.44 -54.8 30.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.967 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.455 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 20.7 p -52.71 -44.15 66.13 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.48 -50.69 71.73 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.46 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 89.3 tt0 -55.03 -48.7 73.04 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.866 179.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -58.63 -39.32 80.19 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.431 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.486 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 97.6 t -60.04 -36.98 70.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.107 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.541 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 15.4 t -65.51 -47.89 84.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.461 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -47.92 -44.21 29.72 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.051 0.453 . . . . 0.0 109.886 178.751 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . 0.409 ' NE2' ' C ' ' B' ' 32' ' ' GLN . 0.0 OUTLIER -65.57 -37.0 85.4 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.421 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.541 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 61.0 t80 -55.89 -58.0 9.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.202 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.418 ' CE2' HG13 ' B' ' 30' ' ' VAL . 28.1 m-85 -72.58 -41.6 65.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.185 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -49.45 -38.3 29.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.573 0.701 . . . . 0.0 109.759 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.417 ' HB2' ' HG2' ' B' ' 56' ' ' GLU . 38.9 m-20 -94.64 -24.75 17.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.801 -1.09 . . . . 0.0 112.763 -179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.3 m-20 -78.44 -46.62 19.34 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -1.6 -121.36 0.0 OUTLIER Glycine 0 C--N 1.333 0.37 0 CA-C-N 114.52 -1.218 . . . . 0.0 116.016 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 63.6 t -89.44 -43.84 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -175.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -99.38 28.74 4.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.62 169.74 54.16 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.013 -1.089 . . . . 0.0 111.762 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -91.03 95.6 10.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 117.002 0.401 . . . . 0.0 110.26 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.466 ' CH2' ' HD2' ' A' ' 31' ' ' LYS . 6.8 m0 -97.69 119.66 36.67 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -178.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 53.0 p -106.52 134.07 50.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 17.4 t80 -106.41 143.26 34.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.025 0.44 . . . . 0.0 111.837 -178.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -123.6 81.12 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.484 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.24 -35.57 7.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.444 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.15 -34.19 21.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.05 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 74.7 p -128.22 10.93 6.38 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 mttp 54.56 31.42 14.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.028 0.442 . . . . 0.0 110.528 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 95.4 m -104.99 148.56 26.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.522 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.499 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 26.4 m-85 -122.53 96.11 4.9 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.314 0.578 . . . . 0.0 111.858 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -77.84 124.59 28.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.329 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.6 t -113.08 111.82 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.156 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.585 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 25.3 m -101.32 116.27 32.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.213 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.417 ' HG2' ' HB2' ' B' ' 36' ' ' ASP . 3.7 tm-20 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.651 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 N--CA 1.455 -0.203 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -122.09 141.34 51.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.567 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -104.86 108.28 19.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.658 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.473 ' HB ' HG23 ' A' ' 16' ' ' THR . 60.7 t -95.05 136.45 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.206 0.526 . . . . 0.0 110.589 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.486 ' CG2' ' OD1' ' A' ' 8' ' ' ASN . 78.6 mt -110.95 128.34 67.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.278 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 mt -108.26 101.16 10.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.953 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.591 ' O ' ' HA ' ' B' ' 55' ' ' THR . 5.8 m120 -106.74 105.84 16.07 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.851 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.66 -167.63 19.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.532 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.472 ' N ' ' HE3' ' A' ' 10' ' ' LYS . 0.9 OUTLIER -71.32 -55.09 8.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.657 0.265 . . . . 0.0 111.168 -179.767 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.457 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 4.8 p -117.96 16.83 14.24 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.408 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.566 ' HB3' ' CD1' ' B' ' 33' ' ' PHE . 26.9 tp -141.55 139.39 33.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.102 0.477 . . . . 0.0 111.29 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -145.33 147.87 32.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.284 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.482 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.67 -176.0 43.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.004 -1.093 . . . . 0.0 113.751 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -136.27 135.16 38.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.824 0.345 . . . . 0.0 110.256 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.487 ' HA ' ' HA3' ' B' ' 14' ' ' GLY . 0.0 OUTLIER -134.25 166.25 23.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.038 -179.7 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.7 p -143.46 121.36 12.01 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.478 ' CA ' HD11 ' B' ' 12' ' ' LEU . 11.3 t -108.58 142.22 39.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.329 178.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' OE1' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -105.85 110.38 22.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.4 ' N ' ' OE1' ' A' ' 19' ' ' GLU . . . -142.55 152.96 43.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.223 0.535 . . . . 0.0 112.107 -179.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.0 t -50.86 -37.16 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.844 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.436 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 59.2 p30 -146.4 167.92 22.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.687 0.28 . . . . 0.0 111.111 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.95 -40.46 63.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.623 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.81 -55.13 29.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.202 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.436 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 45.7 p -52.94 -45.26 67.6 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.04 -53.08 62.07 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 5.1 tp10 -51.49 -49.91 60.92 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.839 179.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.468 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 4.3 mmmp? -59.16 -41.02 87.36 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.67 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.451 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 73.8 t -54.26 -40.96 49.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.328 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.51 ' CG1' ' CH2' ' B' ' 43' ' ' TRP . 39.4 t -64.53 -46.75 91.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.474 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HD2' ' CZ3' ' B' ' 43' ' ' TRP . 1.0 OUTLIER -49.63 -45.65 48.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.79 0.329 . . . . 0.0 110.658 178.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -69.12 -38.72 79.03 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' B' ' 12' ' ' LEU . 61.0 t80 -54.14 -55.78 24.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.718 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.499 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 25.6 m-85 -75.84 -39.04 57.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.592 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -50.9 -39.03 53.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.324 0.583 . . . . 0.0 110.001 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.449 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 34.2 m-20 -94.66 -26.5 16.3 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.073 -0.967 . . . . 0.0 113.388 -179.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.507 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 90.0 m-20 -75.68 -40.48 55.84 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.439 -0.504 . . . . 0.0 109.892 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.94 -119.91 0.0 OUTLIER Glycine 0 CA--C 1.521 0.453 0 CA-C-N 114.463 -1.244 . . . . 0.0 115.909 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.2 t -84.81 -55.51 6.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 -175.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -90.1 27.55 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -176.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.09 146.41 49.06 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 119.926 -1.131 . . . . 0.0 112.238 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.19 93.19 2.29 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.741 0.305 . . . . 0.0 110.225 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.514 ' CH2' ' CG1' ' B' ' 30' ' ' VAL . 10.3 m0 -105.69 128.9 53.94 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.0 p -110.3 140.08 44.84 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.434 ' CD2' ' OD1' ' A' ' 47' ' ' ASP . 5.9 t80 -109.89 142.03 41.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 0.0 111.777 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -123.63 81.97 1.96 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.644 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.434 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 13.6 m-20 -46.46 -35.15 5.34 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.554 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.02 -31.19 12.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.128 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.9 p -128.03 15.12 6.83 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HE2' ' HE2' ' B' ' 1' ' ' MET . 2.6 mtmp? 47.54 38.96 8.74 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.089 0.471 . . . . 0.0 110.657 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.451 ' CG2' HG13 ' B' ' 6' ' ' ILE . 88.0 m -125.33 144.44 50.49 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.643 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.458 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.5 m-85 -113.43 145.82 40.53 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.052 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -121.45 127.39 51.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.965 0.412 . . . . 0.0 111.024 178.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.447 HG23 ' CD2' ' A' ' 43' ' ' TRP . 45.3 t -107.64 113.31 43.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.463 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.583 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 23.5 m -101.26 109.32 21.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 111.413 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.452 ' OE1' ' C ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.54 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.527 ' HE3' ' HA ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.86 0.362 . . . . 0.0 110.562 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -99.32 139.07 35.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.099 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -121.81 141.49 51.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.642 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -104.93 108.22 19.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.677 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.464 ' HB ' HG23 ' B' ' 16' ' ' THR . 60.3 t -95.07 136.46 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 121.185 0.516 . . . . 0.0 110.583 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.484 ' CG2' ' OD1' ' B' ' 8' ' ' ASN . 79.4 mt -110.91 128.27 67.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.35 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 mt -108.33 101.27 10.48 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.944 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.583 ' O ' ' HA ' ' A' ' 55' ' ' THR . 5.8 m120 -106.65 105.86 16.1 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.839 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.71 -167.57 19.19 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.467 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.474 ' HE3' ' N ' ' B' ' 10' ' ' LYS . 0.9 OUTLIER -71.21 -55.11 8.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.707 0.289 . . . . 0.0 111.26 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.451 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 4.7 p -118.03 16.77 14.18 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.282 -179.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.57 ' HB3' ' CD1' ' A' ' 33' ' ' PHE . 26.7 tp -141.59 139.42 33.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.027 0.441 . . . . 0.0 111.276 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -145.31 147.83 32.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.304 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.487 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.71 -176.1 43.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 119.892 -1.147 . . . . 0.0 113.602 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -136.14 135.14 38.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.923 0.392 . . . . 0.0 110.279 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.482 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -134.17 166.23 23.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.04 -179.772 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 47.1 p -143.44 121.24 11.93 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.478 ' CA ' HD11 ' A' ' 12' ' ' LEU . 11.2 t -108.42 142.23 39.09 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.343 178.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' B' ' 20' ' ' ALA . 0.0 OUTLIER -105.91 110.4 22.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.407 ' N ' ' OE1' ' B' ' 19' ' ' GLU . . . -142.57 153.01 43.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.19 0.519 . . . . 0.0 112.059 -179.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.0 t -50.87 -37.35 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.938 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.432 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 59.3 p30 -146.19 167.84 22.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.789 0.328 . . . . 0.0 111.051 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.93 -40.39 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.574 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.86 -55.06 29.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.168 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.432 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 45.5 p -53.06 -45.19 67.97 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.97 -53.18 60.82 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.445 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 5.1 tp10 -51.5 -49.78 61.2 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.933 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.464 ' NZ ' ' HB3' ' B' ' 28' ' ' LYS . 4.2 mmmp? -59.16 -41.03 87.42 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.768 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.457 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 72.5 t -54.26 -40.98 50.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.339 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.514 ' CG1' ' CH2' ' A' ' 43' ' ' TRP . 39.4 t -64.45 -46.77 91.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.544 179.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.463 ' HD2' ' CZ3' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -49.49 -45.76 47.37 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-O 120.873 0.368 . . . . 0.0 110.672 178.857 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -69.09 -38.87 79.21 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 12' ' ' LEU . 60.9 t80 -54.02 -55.75 24.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.755 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.5 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 25.5 m-85 -75.91 -39.09 56.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.525 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -50.74 -39.08 51.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.393 0.616 . . . . 0.0 110.003 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.441 ' HB2' ' HG2' ' B' ' 56' ' ' GLU . 34.0 m-20 -94.65 -26.56 16.29 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.055 -0.975 . . . . 0.0 113.365 -178.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.507 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 90.1 m-20 -75.75 -40.4 55.49 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 120.374 -0.53 . . . . 0.0 109.902 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.02 -119.81 0.0 OUTLIER Glycine 0 C--N 1.333 0.369 0 CA-C-N 114.636 -1.166 . . . . 0.0 115.989 179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -84.9 -55.54 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -175.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -90.03 27.38 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -176.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.95 146.37 49.15 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 119.958 -1.115 . . . . 0.0 112.148 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.13 93.14 2.26 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.51 ' CH2' ' CG1' ' A' ' 30' ' ' VAL . 10.4 m0 -105.67 129.06 53.97 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -178.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 77.8 p -110.37 140.17 44.84 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.43 ' CD2' ' OD1' ' B' ' 47' ' ' ASP . 5.9 t80 -109.95 141.83 42.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 111.781 -178.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.49 81.87 1.94 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.745 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.43 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 13.6 m-20 -46.38 -35.31 5.35 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.524 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.9 -31.26 11.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.283 -179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 73.9 p -127.99 15.34 6.84 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? 47.21 39.27 8.16 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.041 0.448 . . . . 0.0 110.71 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.454 ' CG2' HG13 ' A' ' 6' ' ' ILE . 87.0 m -125.35 144.36 50.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.661 -179.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' B' ' 52' ' ' PHE . 1.5 m-85 -113.43 145.83 40.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.043 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -121.5 127.45 51.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.958 0.409 . . . . 0.0 110.973 178.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.452 HG23 ' CD2' ' B' ' 43' ' ' TRP . 45.3 t -107.61 113.24 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.524 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.591 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 24.0 m -101.25 109.33 21.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 0.0 111.242 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.446 ' C ' ' OE1' ' B' ' 56' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.597 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 . . . . . 0 N--CA 1.457 -0.121 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.439 ' CD2' ' HB3' ' B' ' 50' ' ' LYS . 70.8 m-85 -115.46 143.93 44.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.832 0.348 . . . . 0.0 110.797 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' B' ' 51' ' ' THR . 63.1 tttp -103.26 105.91 16.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.512 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.607 ' HB ' HG22 ' A' ' 16' ' ' THR . 90.3 t -94.62 112.82 27.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.3 0.571 . . . . 0.0 110.767 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.466 ' CG2' ' OD1' ' A' ' 8' ' ' ASN . 47.9 mt -94.94 127.87 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.786 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.41 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.9 mt -108.94 101.43 10.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.154 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.466 ' OD1' ' CG2' ' A' ' 6' ' ' ILE . 3.9 m120 -105.06 108.89 20.65 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' B' ' 56' ' ' GLU . . . -114.88 -176.21 18.72 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.7 178.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 12.6 mptt -76.54 -50.43 13.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.08 0.467 . . . . 0.0 110.322 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.45 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 10.4 p -106.21 1.77 26.34 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.497 -179.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.484 HD23 ' CG ' ' B' ' 33' ' ' PHE . 19.2 tp -137.0 137.56 39.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.279 0.561 . . . . 0.0 111.543 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 2.0 mppt? -143.51 143.12 31.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.764 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.437 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -174.03 -177.33 43.12 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 119.817 -1.182 . . . . 0.0 113.393 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -140.09 136.02 33.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.495 -0.353 . . . . 0.0 110.197 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.607 HG22 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -135.33 165.26 25.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.757 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.3 p -143.37 119.15 10.51 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.476 ' CA ' HD13 ' B' ' 12' ' ' LEU . 11.6 t -106.95 145.91 31.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.359 178.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -106.58 111.2 23.64 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.37 152.13 42.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.203 0.525 . . . . 0.0 111.909 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.8 t -50.86 -29.63 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.889 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -154.1 178.03 10.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.918 0.39 . . . . 0.0 111.391 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.99 94.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.729 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.83 -54.21 45.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.311 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.4 p -51.11 -45.14 61.44 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.01 -53.86 52.84 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -52.29 -47.92 65.63 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.769 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -59.62 -43.89 93.65 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.073 0.463 . . . . 0.0 109.906 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.449 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 83.1 t -60.62 -38.11 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.476 179.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.49 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 15.6 t -67.61 -49.85 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.507 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 27.9 mmtm -46.15 -51.79 13.44 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 121.158 0.504 . . . . 0.0 109.836 178.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.515 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -62.01 -35.36 78.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.725 179.084 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.515 ' N ' ' NE2' ' A' ' 32' ' ' GLN . 49.8 t80 -56.19 -61.39 2.42 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.232 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.408 ' CE2' HG13 ' A' ' 30' ' ' VAL . 26.8 m-85 -69.42 -39.63 77.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.823 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 32.5 t-20 -49.58 -38.99 33.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.516 0.674 . . . . 0.0 109.797 178.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.7 -23.03 17.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.587 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.474 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.0 m-20 -79.92 -46.6 16.46 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.961 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.08 -118.2 0.0 OUTLIER Glycine 0 CA--C 1.521 0.441 0 CA-C-N 114.949 -1.023 . . . . 0.0 115.51 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.422 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 26.3 t -111.91 5.04 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -176.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -123.63 12.33 9.25 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.763 -0.585 . . . . 0.0 112.152 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.99 177.98 53.19 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.849 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -97.51 100.38 11.8 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CH2' ' HD3' ' B' ' 31' ' ' LYS . 9.7 m95 -97.18 120.26 37.21 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.8 p -110.16 136.92 48.64 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.504 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 22.8 t80 -111.56 146.98 36.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.155 0.503 . . . . 0.0 112.268 -178.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -123.56 81.61 1.92 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.135 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.91 -36.09 7.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.187 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.11 -37.08 32.36 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.3 p -128.83 12.25 6.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.733 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.463 ' HG2' ' CE ' ' B' ' 1' ' ' MET . 3.5 mppt? 54.75 29.04 11.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.011 0.434 . . . . 0.0 110.345 -178.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 88.1 m -97.78 134.4 40.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.604 -179.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 25.7 m-85 -112.14 128.54 56.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.999 179.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -110.08 92.69 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.326 0.584 . . . . 0.0 111.649 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 51.4 t -82.99 118.48 30.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.452 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 m -85.23 160.78 19.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.246 0.546 . . . . 0.0 111.962 -178.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' HB2' ' CA ' ' B' ' 9' ' ' GLY . 45.9 tt0 . . . . . 0 C--O 1.249 1.065 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.871 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.523 ' HE3' ' CZ ' ' B' ' 3' ' ' TYR . 5.6 ttp . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.818 0.342 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -99.05 132.22 44.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.055 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.523 ' CZ ' ' HE3' ' B' ' 1' ' ' MET . 71.0 m-85 -115.45 144.1 44.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.329 . . . . 0.0 110.796 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 51' ' ' THR . 63.2 tttp -103.36 105.79 16.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.538 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.603 ' HB ' HG22 ' B' ' 16' ' ' THR . 88.6 t -94.61 112.81 27.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.376 0.608 . . . . 0.0 110.804 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.471 ' CG2' ' OD1' ' B' ' 8' ' ' ASN . 47.8 mt -95.0 127.88 46.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.721 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.9 mt -109.0 101.45 10.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.063 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.471 ' OD1' ' CG2' ' B' ' 6' ' ' ILE . 3.9 m120 -105.08 108.91 20.68 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' A' ' 56' ' ' GLU . . . -114.89 -176.26 18.72 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.451 -0.88 . . . . 0.0 111.692 178.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' B' ' 10' ' ' LYS . 12.6 mptt -76.56 -50.35 14.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.049 0.452 . . . . 0.0 110.332 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.449 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 10.4 p -106.16 1.64 26.36 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.46 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.484 HD23 ' CG ' ' A' ' 33' ' ' PHE . 19.1 tp -136.91 137.4 39.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.228 0.537 . . . . 0.0 111.597 -179.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.43 ' HD3' ' N ' ' B' ' 13' ' ' LYS . 2.0 mppt? -143.37 143.1 31.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.779 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.441 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -174.0 -177.36 43.12 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 119.906 -1.14 . . . . 0.0 113.517 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -140.05 135.89 33.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.289 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.603 HG22 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -135.16 165.39 25.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.735 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 64.0 p -143.52 119.1 10.38 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -178.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.465 ' CA ' HD13 ' A' ' 12' ' ' LEU . 11.7 t -106.95 145.81 31.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.376 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -106.53 111.23 23.69 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.41 152.2 42.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.28 0.562 . . . . 0.0 111.877 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.9 t -50.9 -29.6 7.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.833 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -154.1 178.01 10.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.869 0.366 . . . . 0.0 111.489 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.0 94.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.714 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.83 -54.34 43.53 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 41.4 p -50.99 -45.16 60.99 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.92 -54.02 51.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -52.27 -47.9 65.58 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.7 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -59.65 -43.91 93.74 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.064 0.459 . . . . 0.0 109.908 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.45 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 83.2 t -60.57 -38.16 77.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.499 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.489 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 15.7 t -67.58 -49.84 66.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.508 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 27.9 mmtm -46.1 -51.88 13.09 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.335 0.588 . . . . 0.0 109.87 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . 0.517 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -62.0 -35.38 78.37 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.716 179.14 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.517 ' N ' ' NE2' ' B' ' 32' ' ' GLN . 50.1 t80 -56.18 -61.37 2.44 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.243 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -69.44 -39.65 77.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.801 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' B' ' 31' ' ' LYS . 32.6 t-20 -49.62 -38.99 34.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.45 0.643 . . . . 0.0 109.818 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.68 -22.98 17.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.517 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.478 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.0 m-20 -79.96 -46.63 16.34 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.902 179.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.11 -118.12 0.0 OUTLIER Glycine 0 C--N 1.333 0.396 0 CA-C-N 114.887 -1.051 . . . . 0.0 115.539 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.428 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 25.9 t -111.9 5.01 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -176.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -123.65 12.3 9.23 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.764 -0.585 . . . . 0.0 112.111 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.07 177.89 53.11 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.415 -0.897 . . . . 0.0 112.855 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -97.44 100.52 11.95 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.507 ' CH2' ' HD3' ' A' ' 31' ' ' LYS . 9.7 m95 -97.18 120.25 37.18 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 38.8 p -110.1 136.96 48.53 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.508 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 22.8 t80 -111.64 147.05 36.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.152 0.501 . . . . 0.0 112.131 -178.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -123.61 81.46 1.9 Allowed 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.165 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.9 -36.12 7.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.111 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.92 -37.22 30.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.3 p -128.78 12.17 6.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.754 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.439 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 3.5 mppt? 54.88 29.05 11.34 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.865 0.364 . . . . 0.0 110.23 -178.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 87.5 m -97.9 134.33 41.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.487 -178.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.508 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 25.5 m-85 -112.01 128.55 56.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.042 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -110.17 92.74 4.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.44 0.638 . . . . 0.0 111.62 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 51.7 t -83.02 118.49 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.47 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 7.4 m -85.32 160.81 19.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.365 0.603 . . . . 0.0 111.856 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.436 ' HB2' ' CA ' ' A' ' 9' ' ' GLY . 45.8 tt0 . . . . . 0 C--O 1.247 0.944 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.976 179.443 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.72 0.295 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.426 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 10.2 m-85 -128.06 146.86 50.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.73 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.432 ' O ' ' CG2' ' B' ' 51' ' ' THR . 62.8 tttp -103.85 109.18 20.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.675 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 16' ' ' THR . 57.4 t -94.61 131.45 41.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.462 179.861 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.419 HG13 ' CG2' ' B' ' 51' ' ' THR . 70.7 mt -104.7 116.14 47.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.26 -179.529 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.521 ' CD2' ' CZ ' ' A' ' 34' ' ' PHE . 63.1 mt -94.53 83.44 4.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.434 179.272 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.551 ' O ' ' HA ' ' B' ' 55' ' ' THR . 34.7 t-20 -94.93 107.77 19.8 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.799 -177.717 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.83 -170.69 15.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.184 179.165 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -82.81 -55.15 4.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.261 0.553 . . . . 0.0 110.046 179.469 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.406 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 5.6 p -100.12 -2.12 34.99 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.007 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.511 HD13 ' CA ' ' B' ' 18' ' ' THR . 16.7 tp -131.76 132.71 44.04 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.085 0.469 . . . . 0.0 111.37 -179.355 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -131.75 128.33 38.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.747 -179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -166.49 175.92 41.78 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 119.626 -1.273 . . . . 0.0 113.82 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -140.19 140.46 35.88 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 179.36 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -137.62 167.42 21.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 -179.407 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.3 p -143.89 119.73 10.58 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.518 ' CA ' HD13 ' B' ' 12' ' ' LEU . 9.9 t -106.56 145.03 32.38 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.551 178.393 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -105.75 117.08 33.09 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.14 153.71 38.11 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.278 0.561 . . . . 0.0 112.167 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.0 t -50.63 -28.1 5.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.167 -178.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -155.17 171.24 20.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.709 0.29 . . . . 0.0 111.292 179.384 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.426 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -57.56 -41.79 81.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.464 -179.316 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.66 -54.36 36.95 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.437 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.2 p -52.19 -45.74 65.28 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.498 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.73 -51.69 68.28 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.398 178.137 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 8.5 tm-20 -53.34 -46.06 69.36 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.418 178.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -62.04 -43.3 99.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.262 179.354 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.408 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 86.6 t -58.13 -40.42 77.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.235 179.518 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.506 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 65.4 t -61.89 -45.94 97.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.58 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 2.1 mmmp? -48.34 -52.36 21.97 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.244 0.545 . . . . 0.0 110.111 179.077 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -57.7 -38.12 74.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.783 179.492 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.517 ' CZ ' ' HB3' ' B' ' 7' ' ' LEU . 37.7 t80 -52.86 -65.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.06 179.447 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.521 ' CZ ' ' CD2' ' A' ' 7' ' ' LEU . 27.5 m-85 -66.07 -38.1 87.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.47 179.434 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.421 ' ND2' ' CG2' ' B' ' 39' ' ' VAL . 33.4 t-20 -50.5 -39.93 49.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.468 0.651 . . . . 0.0 110.136 178.693 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -94.74 -22.94 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.907 -1.042 . . . . 0.0 112.462 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.0 m-20 -78.41 -46.03 20.86 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.193 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -3.84 -118.57 0.0 OUTLIER Glycine 0 CA--C 1.518 0.255 0 CA-C-N 114.587 -1.188 . . . . 0.0 115.687 179.711 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.416 ' CG2' ' ND2' ' B' ' 35' ' ' ASN . 26.3 t -104.91 -1.3 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -175.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -125.41 16.72 8.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 119.285 0.948 . . . . 0.0 112.167 -179.576 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.3 165.06 53.8 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.23 -179.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -92.01 100.14 12.84 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.857 0.361 . . . . 0.0 110.036 179.432 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.466 ' CH2' ' HD2' ' B' ' 31' ' ' LYS . 9.4 m0 -101.92 122.88 44.86 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -178.277 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.8 p -111.36 140.32 46.04 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.119 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.518 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 7.2 t80 -111.74 142.57 43.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 111.59 -178.864 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -123.18 82.96 2.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.657 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.437 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 54.3 m-20 -45.89 -34.59 3.96 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.502 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.82 -31.87 12.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.126 -178.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.2 p -128.07 16.32 6.74 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt 48.26 38.15 9.7 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.434 ' CG2' ' O ' ' B' ' 4' ' ' LYS . 83.4 m -127.6 141.57 51.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.084 0.469 . . . . 0.0 112.137 -178.466 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.518 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 87.1 m-85 -106.61 144.12 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.647 178.66 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 p -120.92 124.92 46.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.193 0.521 . . . . 0.0 111.88 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.9 t -104.93 110.76 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.096 178.429 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.554 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 12.4 m -102.29 115.15 29.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.071 0.463 . . . . 0.0 112.164 -178.35 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.061 179.644 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.941 0.4 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -106.91 143.8 34.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.416 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.418 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 9.9 m-85 -127.95 146.86 50.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.793 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.434 ' O ' ' CG2' ' A' ' 51' ' ' THR . 62.9 tttp -103.75 109.12 20.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.664 -179.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' B' ' 16' ' ' THR . 56.8 t -94.63 131.39 41.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.515 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.427 HG13 ' CG2' ' A' ' 51' ' ' THR . 70.8 mt -104.63 116.15 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.109 0.48 . . . . 0.0 111.317 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.521 ' CD2' ' CZ ' ' B' ' 34' ' ' PHE . 63.1 mt -94.48 83.34 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.431 179.287 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.554 ' O ' ' HA ' ' A' ' 55' ' ' THR . 34.6 t-20 -94.9 107.81 19.85 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.779 -177.738 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.85 -170.64 15.52 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.194 179.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -82.87 -55.08 4.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.241 0.543 . . . . 0.0 110.144 179.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.408 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 5.7 p -100.16 -1.96 35.28 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.039 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.518 HD13 ' CA ' ' A' ' 18' ' ' THR . 16.8 tp -131.86 132.68 43.87 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.217 0.532 . . . . 0.0 111.384 -179.457 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -131.7 128.24 38.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.798 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.431 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -166.51 175.83 41.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 119.63 -1.271 . . . . 0.0 113.854 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -140.16 140.42 35.93 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.359 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.433 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -137.48 167.38 21.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.151 -179.376 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 72.0 p -143.87 119.78 10.62 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.031 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.511 ' CA ' HD13 ' A' ' 12' ' ' LEU . 9.8 t -106.65 145.07 32.41 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.466 178.439 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -105.75 117.15 33.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.19 153.61 37.9 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.213 0.53 . . . . 0.0 112.217 -179.228 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 25.2 t -50.6 -28.03 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.196 -178.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -155.15 171.2 20.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.352 . . . . 0.0 111.158 179.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.418 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -57.59 -41.72 81.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.553 -179.457 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.61 -54.57 33.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.398 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 75.0 p -52.04 -45.83 64.82 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.507 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.68 -51.69 68.28 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.359 178.184 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 8.4 tm-20 -53.35 -46.13 69.4 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.401 178.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -61.97 -43.3 99.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.287 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.406 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 87.0 t -58.15 -40.35 76.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.356 179.431 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.505 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 65.0 t -61.85 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 178.467 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.466 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 2.1 mmmp? -48.41 -52.39 22.22 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.142 0.496 . . . . 0.0 110.034 179.121 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -57.6 -38.27 74.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.88 179.487 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 7' ' ' LEU . 36.9 t80 -52.62 -65.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.128 179.336 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.521 ' CZ ' ' CD2' ' B' ' 7' ' ' LEU . 27.5 m-85 -66.15 -38.04 87.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.496 179.443 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.416 ' ND2' ' CG2' ' A' ' 39' ' ' VAL . 33.5 t-20 -50.51 -39.99 50.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.427 0.632 . . . . 0.0 110.134 178.621 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -94.77 -22.78 17.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.99 -1.004 . . . . 0.0 112.452 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.465 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.0 m-20 -78.47 -46.02 20.69 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.197 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -3.83 -118.62 0.0 OUTLIER Glycine 0 C--N 1.332 0.329 0 CA-C-N 114.587 -1.188 . . . . 0.0 115.639 179.681 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.421 ' CG2' ' ND2' ' A' ' 35' ' ' ASN . 26.9 t -104.97 -1.1 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -175.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -125.52 16.79 8.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 119.165 0.893 . . . . 0.0 112.148 -179.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.24 165.07 53.84 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.209 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -92.11 100.17 12.85 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.894 0.378 . . . . 0.0 110.174 179.285 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.466 ' CH2' ' HD2' ' A' ' 31' ' ' LYS . 9.4 m0 -101.86 122.88 44.83 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.177 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 76.7 p -111.35 140.42 45.94 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.092 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.52 ' CD1' ' CD2' ' B' ' 52' ' ' PHE . 7.2 t80 -111.75 142.59 43.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.854 0.359 . . . . 0.0 111.643 -178.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -123.13 82.98 2.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.686 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.435 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 53.9 m-20 -45.87 -34.6 3.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.595 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.8 -31.83 12.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.244 -178.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 74.1 p -128.0 16.24 6.79 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.534 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt 48.17 38.26 9.61 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.933 0.397 . . . . 0.0 110.391 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 4' ' ' LYS . 84.0 m -127.7 141.6 51.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.07 -178.371 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.52 ' CD2' ' CD1' ' B' ' 45' ' ' TYR . 87.6 m-85 -106.66 144.26 33.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.498 178.724 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.3 p -121.04 124.86 45.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.252 0.549 . . . . 0.0 111.861 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 78.3 t -104.88 110.67 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.128 178.428 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.551 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 12.0 m -102.18 114.99 29.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.451 . . . . 0.0 112.14 -178.308 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.311 -0.852 . . . . 0.0 111.071 179.558 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 C--O 1.232 0.136 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -124.07 146.08 48.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 0.0 111.117 -179.684 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' B' ' 51' ' ' THR . 1.4 tmtp? -97.77 107.71 20.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.025 -179.799 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.461 ' O ' HG21 ' A' ' 16' ' ' THR . 58.1 t -96.54 124.09 49.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.118 0.485 . . . . 0.0 111.243 -179.561 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' B' ' 53' ' ' THR . 74.4 mt -105.6 125.67 60.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.303 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mt -108.78 103.48 12.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.699 0.285 . . . . 0.0 110.748 -178.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.574 ' O ' ' HA ' ' B' ' 55' ' ' THR . 5.7 m120 -109.27 108.76 19.47 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.373 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.404 ' HA2' ' CB ' ' B' ' 56' ' ' GLU . . . -111.97 -170.04 18.44 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.63 179.557 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -71.58 -55.49 7.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.952 0.406 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.473 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 3.0 p -114.85 13.23 17.1 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.353 -179.177 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.533 HD11 ' CA ' ' B' ' 18' ' ' THR . 28.5 tp -139.43 139.58 37.12 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.952 0.406 . . . . 0.0 111.276 -179.44 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -145.11 145.48 31.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.317 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.467 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.31 -172.1 39.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 119.891 -1.147 . . . . 0.0 113.567 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.403 ' HB3' ' CE ' ' A' ' 4' ' ' LYS . 53.6 mt-10 -142.76 137.9 30.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.483 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.473 ' HA ' ' HA3' ' B' ' 14' ' ' GLY . 0.0 OUTLIER -138.54 168.14 20.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.108 -179.579 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.5 p -143.26 119.57 10.89 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.529 ' CA ' HD11 ' B' ' 12' ' ' LEU . 13.3 t -104.53 138.38 40.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.88 178.786 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -100.26 110.23 22.47 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.71 149.73 34.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.173 0.511 . . . . 0.0 111.868 -179.333 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -50.96 -36.88 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.772 -178.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.432 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 7.3 p-10 -145.65 169.73 17.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.904 0.383 . . . . 0.0 111.364 179.697 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.37 -41.58 72.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.367 -179.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.67 -54.45 39.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.253 179.591 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.432 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 35.0 p -53.07 -44.25 67.36 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.348 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.75 -53.66 55.32 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.133 177.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 89.0 tt0 -50.68 -49.31 57.63 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.52 179.132 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -59.14 -44.96 92.09 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.192 0.52 . . . . 0.0 109.683 179.053 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.473 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 51.0 t -56.39 -43.23 76.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.567 179.136 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.49 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 21.2 t -65.58 -48.79 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.706 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.595 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 27.7 mmtm -46.72 -48.56 20.3 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 121.178 0.513 . . . . 0.0 109.906 178.881 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.507 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -63.71 -35.5 80.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.823 179.017 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' B' ' 12' ' ' LEU . 61.4 t80 -56.39 -57.72 11.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.37 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -75.4 -40.59 57.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.54 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.418 ' ND2' ' CG2' ' B' ' 39' ' ' VAL . 24.8 t-20 -49.52 -37.79 28.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.55 0.69 . . . . 0.0 109.875 178.689 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.42 ' CB ' ' OE2' ' A' ' 56' ' ' GLU . 1.5 m-20 -94.64 -24.21 17.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.722 -1.127 . . . . 0.0 112.805 -179.52 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 85.5 m-20 -76.92 -43.66 34.69 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.024 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.35 -119.77 0.0 OUTLIER Glycine 0 C--N 1.333 0.362 0 CA-C-N 114.48 -1.237 . . . . 0.0 116.042 179.802 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.413 ' CG2' ' ND2' ' B' ' 35' ' ' ASN . 91.5 t -84.37 -55.32 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -175.682 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -89.25 27.28 1.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -176.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.09 156.62 53.57 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 119.901 -1.142 . . . . 0.0 112.038 179.301 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -87.14 99.05 11.64 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.83 0.315 . . . . 0.0 110.156 179.398 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.593 ' CH2' ' HD3' ' B' ' 31' ' ' LYS . 6.4 m0 -104.92 125.29 50.77 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -178.091 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.0 p -108.84 138.27 45.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.516 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.492 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 8.0 t80 -112.45 142.97 44.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.034 0.445 . . . . 0.0 111.56 -178.851 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.63 84.34 2.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.695 179.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 15.4 m-20 -47.74 -36.13 10.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.619 -179.672 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.89 -32.71 15.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.115 -179.111 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.7 p -128.11 13.72 6.73 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.65 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 49.22 33.26 4.91 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.554 -179.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.507 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 96.5 m -113.66 146.02 40.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.127 0.489 . . . . 0.0 111.763 -178.884 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.492 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 1.8 m-85 -116.61 137.29 52.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.008 179.465 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.529 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -119.48 127.7 53.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.185 0.517 . . . . 0.0 111.775 179.381 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -107.48 107.25 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.544 178.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.571 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 10.1 m -94.52 108.44 20.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.057 0.456 . . . . 0.0 111.801 -178.767 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' OE2' ' CB ' ' A' ' 36' ' ' ASP . 16.3 tp10 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.995 179.582 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.41 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 28.1 ttt . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.778 0.323 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.41 ' N ' ' HG2' ' B' ' 1' ' ' MET . 8.3 tt0 -103.2 138.14 40.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.085 179.35 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -124.11 146.09 48.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.961 0.41 . . . . 0.0 111.122 -179.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 51' ' ' THR . 1.4 tmtp? -97.91 107.9 20.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.05 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.464 ' O ' HG21 ' B' ' 16' ' ' THR . 57.7 t -96.58 124.01 49.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.079 0.466 . . . . 0.0 111.317 -179.481 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.529 ' O ' ' HA ' ' A' ' 53' ' ' THR . 74.7 mt -105.66 125.64 61.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.21 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.7 mt -108.76 103.49 12.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.738 0.304 . . . . 0.0 110.742 -178.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.571 ' O ' ' HA ' ' A' ' 55' ' ' THR . 5.7 m120 -109.28 108.75 19.46 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.438 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.402 ' HA2' ' CB ' ' A' ' 56' ' ' GLU . . . -111.96 -170.03 18.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.546 179.593 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -71.62 -55.52 7.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.935 0.398 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.473 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 3.0 p -114.75 13.2 17.23 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.294 -179.143 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.529 HD11 ' CA ' ' A' ' 18' ' ' THR . 28.8 tp -139.49 139.49 36.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.001 0.429 . . . . 0.0 111.222 -179.305 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -144.99 145.49 31.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.348 179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.473 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.3 -172.18 39.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 119.931 -1.128 . . . . 0.0 113.638 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.402 ' HB3' ' CE ' ' B' ' 4' ' ' LYS . 53.7 mt-10 -142.69 137.99 30.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.972 0.415 . . . . 0.0 110.496 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.467 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -138.58 168.17 20.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.086 -179.541 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 58.0 p -143.44 119.46 10.68 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -178.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.533 ' CA ' HD11 ' A' ' 12' ' ' LEU . 13.4 t -104.27 138.35 40.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.935 178.773 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -100.24 110.19 22.43 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.68 149.72 34.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.267 0.556 . . . . 0.0 111.814 -179.215 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.08 -36.68 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.848 -178.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.435 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 7.3 p-10 -145.82 169.78 17.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.914 0.388 . . . . 0.0 111.275 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.48 -41.49 73.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.367 -179.619 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.62 -54.49 38.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.205 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.435 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 34.4 p -53.13 -44.18 67.51 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.501 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.84 -53.7 54.8 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 178.005 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -50.53 -49.33 56.13 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.585 179.029 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -59.17 -44.96 92.16 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.085 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.473 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 50.7 t -56.42 -43.16 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.584 179.146 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.488 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 21.3 t -65.7 -48.74 81.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.728 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.593 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 27.8 mmtm -46.68 -48.53 20.08 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.088 0.471 . . . . 0.0 109.934 178.721 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . 0.508 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -63.83 -35.46 80.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.753 179.1 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.514 ' CD1' ' HB3' ' A' ' 12' ' ' LEU . 61.2 t80 -56.32 -57.79 10.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.393 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -75.4 -40.75 57.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.438 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.413 ' ND2' ' CG2' ' A' ' 39' ' ' VAL . 24.9 t-20 -49.4 -37.74 26.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.552 0.691 . . . . 0.0 109.976 178.644 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.418 ' CB ' ' OE2' ' B' ' 56' ' ' GLU . 1.5 m-20 -94.74 -24.07 17.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.728 -1.123 . . . . 0.0 112.756 -179.501 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 85.4 m-20 -77.08 -43.63 33.63 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.062 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.25 -119.77 0.0 OUTLIER Glycine 0 C--N 1.333 0.4 0 CA-C-N 114.398 -1.274 . . . . 0.0 116.09 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.418 ' CG2' ' ND2' ' A' ' 35' ' ' ASN . 89.6 t -84.38 -55.39 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -175.692 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -89.16 27.14 1.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -176.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.89 156.68 53.49 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 119.939 -1.124 . . . . 0.0 111.989 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -87.28 99.06 11.69 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.319 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.595 ' CH2' ' HD3' ' A' ' 31' ' ' LYS . 6.5 m0 -105.03 125.39 50.93 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.018 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.0 p -108.88 138.32 45.41 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.497 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 8.1 t80 -112.46 142.89 44.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.914 0.388 . . . . 0.0 111.582 -178.814 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -123.6 84.39 2.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.636 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.429 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 15.6 m-20 -47.92 -35.95 11.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.629 -179.619 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.98 -32.65 15.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 112.149 -179.197 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 79.2 p -128.27 13.99 6.66 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 49.24 33.16 4.85 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.903 0.382 . . . . 0.0 110.536 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.506 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 96.6 m -113.59 145.93 40.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.821 -178.841 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.497 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 1.8 m-85 -116.6 137.35 52.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.99 179.425 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.53 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -119.56 127.65 53.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.148 0.499 . . . . 0.0 111.782 179.377 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.2 t -107.37 107.24 22.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.575 178.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.574 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 10.3 m -94.55 108.53 20.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.009 0.433 . . . . 0.0 111.678 -178.675 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.418 ' OE2' ' CB ' ' B' ' 36' ' ' ASP . 16.4 tp10 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.997 179.535 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 C--O 1.231 0.11 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -134.11 149.15 51.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.743 0.306 . . . . 0.0 110.988 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.464 ' HB2' ' NZ ' ' A' ' 4' ' ' LYS . 4.8 ttmp? -107.8 110.88 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.504 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.418 ' HB ' HG21 ' A' ' 16' ' ' THR . 62.0 t -94.43 134.89 30.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.311 0.577 . . . . 0.0 111.385 -179.53 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.434 HG13 ' CG2' ' B' ' 51' ' ' THR . 74.0 mt -104.39 116.43 48.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.293 179.705 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.435 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.0 mt -94.9 85.09 4.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.523 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.668 ' O ' ' HA ' ' B' ' 55' ' ' THR . 33.5 t-20 -95.32 107.36 19.48 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.273 -178.094 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.51 -165.82 14.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.531 179.382 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.498 ' HG2' ' CG ' ' B' ' 56' ' ' GLU . 3.2 mmmp? -78.39 -57.8 3.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.042 0.449 . . . . 0.0 110.755 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.459 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 3.0 p -106.43 5.89 29.82 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.236 -179.556 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.52 HD11 ' CA ' ' B' ' 18' ' ' THR . 20.0 tp -136.98 136.27 38.38 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.085 0.469 . . . . 0.0 111.185 -179.502 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' NZ ' ' ND2' ' A' ' 8' ' ' ASN . 27.3 mtpp -145.21 145.62 31.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.015 179.803 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.502 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -179.36 -168.71 38.75 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 119.966 -1.111 . . . . 0.0 113.319 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -145.23 137.6 25.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.996 0.427 . . . . 0.0 110.543 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.5 ' HA ' ' HA3' ' B' ' 14' ' ' GLY . 0.1 OUTLIER -134.08 168.37 18.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.895 -179.739 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.3 p -143.47 117.28 9.32 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -179.06 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.524 ' CA ' HD11 ' B' ' 12' ' ' LEU . 11.7 t -104.63 141.29 36.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.815 178.287 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -99.31 112.84 24.93 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.322 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.66 150.06 33.65 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.17 0.509 . . . . 0.0 112.116 -178.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.78 -29.79 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.079 -178.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.433 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 6.5 p-10 -154.82 172.03 18.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.921 0.391 . . . . 0.0 111.486 179.687 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.43 -41.37 80.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.284 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.79 -54.56 33.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.435 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.433 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 35.8 p -53.49 -44.28 68.88 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.208 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.84 -51.64 68.86 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.379 178.014 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 88.7 tt0 -54.85 -45.98 74.59 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.596 179.406 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -63.74 -47.2 82.0 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.209 179.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.46 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 96.2 t -53.9 -42.38 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.864 179.204 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.511 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 40.2 t -62.05 -44.7 99.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.435 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 29.1 mmtp -46.8 -52.1 14.94 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.915 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.57 -38.07 80.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.685 179.266 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.511 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 52.5 t80 -53.86 -63.02 1.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.218 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -68.16 -39.12 82.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.669 179.233 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.414 ' ND2' HG22 ' B' ' 39' ' ' VAL . 34.1 t-20 -51.08 -39.16 55.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.343 0.592 . . . . 0.0 110.19 178.565 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.49 -22.84 17.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.464 -179.799 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.479 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.2 m-20 -80.35 -45.99 16.85 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.857 179.273 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.29 -116.4 0.0 OUTLIER Glycine 0 C--N 1.333 0.376 0 CA-C-N 114.824 -1.08 . . . . 0.0 115.464 179.772 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.429 ' CG1' ' O ' ' A' ' 39' ' ' VAL . 21.9 t -110.19 4.51 8.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -176.138 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.42 13.63 8.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.631 -0.668 . . . . 0.0 112.092 -179.813 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.47 170.96 53.87 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.404 -0.903 . . . . 0.0 113.022 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 0.5 OUTLIER -97.32 105.68 17.88 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.207 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.5 ' CH2' ' HD3' ' B' ' 31' ' ' LYS . 7.5 m0 -103.64 123.92 47.87 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -178.183 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.7 p -112.0 138.39 48.71 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.498 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 9.2 t80 -111.7 145.27 39.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.932 0.396 . . . . 0.0 111.757 -178.754 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -123.45 82.82 2.05 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.78 179.507 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.428 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 14.4 m-20 -45.32 -34.68 3.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.898 -179.593 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.5 -34.56 17.41 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -178.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -128.21 16.64 6.65 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.5 mttp 47.9 36.88 6.58 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.002 0.43 . . . . 0.0 110.582 -179.563 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.435 ' CG2' HG13 ' B' ' 6' ' ' ILE . 93.4 m -122.87 139.0 54.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.251 -179.213 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.5 m-85 -107.17 145.16 32.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.926 179.604 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -117.26 121.48 41.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.162 0.506 . . . . 0.0 111.029 178.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.9 t -102.63 107.46 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.407 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.668 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 16.9 m -97.76 114.05 25.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.029 179.671 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.497 ' CG ' ' HG2' ' B' ' 10' ' ' LYS . 2.1 pp20? . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.173 -0.918 . . . . 0.0 111.419 -178.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 121.018 0.437 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -112.94 155.02 25.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.253 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -134.09 149.13 51.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 111.008 -179.77 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.464 ' NZ ' ' HB2' ' B' ' 4' ' ' LYS . 4.8 ttmp? -107.73 110.85 22.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.503 179.794 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.416 ' HB ' HG21 ' B' ' 16' ' ' THR . 61.8 t -94.47 134.9 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.347 0.594 . . . . 0.0 111.329 -179.511 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.435 HG13 ' CG2' ' A' ' 51' ' ' THR . 74.2 mt -104.43 116.53 48.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.301 179.698 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.0 mt -94.88 84.98 4.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.514 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.668 ' O ' ' HA ' ' A' ' 55' ' ' THR . 33.6 t-20 -95.24 107.31 19.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.32 -178.171 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.6 -165.78 14.14 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.419 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.497 ' HG2' ' CG ' ' A' ' 56' ' ' GLU . 3.2 mmmp? -78.3 -57.97 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.066 0.46 . . . . 0.0 110.689 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.46 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 3.0 p -106.36 5.9 29.98 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.245 -179.524 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.524 HD11 ' CA ' ' A' ' 18' ' ' THR . 19.9 tp -136.95 136.32 38.46 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.111 0.481 . . . . 0.0 111.169 -179.573 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.402 ' NZ ' ' ND2' ' B' ' 8' ' ' ASN . 27.4 mtpp -145.19 145.53 31.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.112 179.82 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.5 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -179.31 -168.61 38.57 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 119.96 -1.114 . . . . 0.0 113.308 -179.894 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -145.28 137.61 25.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.011 0.434 . . . . 0.0 110.53 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.502 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -134.03 168.48 18.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.888 -179.792 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 66.0 p -143.52 117.29 9.3 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -179.057 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.52 ' CA ' HD11 ' A' ' 12' ' ' LEU . 11.5 t -104.69 141.26 36.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.809 178.383 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -99.34 113.01 25.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.354 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.78 150.13 33.65 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 121.24 0.543 . . . . 0.0 112.19 -178.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.83 -29.82 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.11 -178.727 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.433 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 6.4 p-10 -154.72 172.03 18.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.972 0.415 . . . . 0.0 111.489 179.659 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.45 -41.35 80.35 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.365 -179.714 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.78 -54.61 32.44 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.42 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.433 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 36.2 p -53.29 -44.46 68.31 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.177 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.7 -51.74 68.51 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.418 177.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 88.7 tt0 -54.73 -46.2 74.21 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.536 179.39 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -63.57 -47.25 82.26 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.235 179.42 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.459 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 95.9 t -53.8 -42.54 52.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.895 179.138 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.507 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 40.3 t -62.02 -44.71 99.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.453 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.5 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 29.1 mmtp -46.76 -52.14 14.71 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 121.226 0.536 . . . . 0.0 109.588 178.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.56 -38.18 80.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.636 179.287 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.507 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 52.1 t80 -53.72 -63.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.269 179.374 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -68.16 -39.15 82.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.653 179.259 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.419 ' ND2' HG22 ' A' ' 39' ' ' VAL . 34.3 t-20 -50.97 -39.1 54.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.461 0.648 . . . . 0.0 110.328 178.481 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.66 -22.88 17.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.332 -179.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.481 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.4 m-20 -80.28 -46.14 16.7 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.329 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.34 -116.32 0.0 OUTLIER Glycine 0 CA--C 1.52 0.367 0 CA-C-N 114.805 -1.089 . . . . 0.0 115.403 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' B' ' 39' ' ' VAL . 21.9 t -110.12 4.39 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 -176.125 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.45 13.72 8.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 118.56 0.618 . . . . 0.0 112.16 -179.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.45 170.94 53.87 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.037 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 0.5 OUTLIER -97.35 105.68 17.87 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.239 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.501 ' CH2' ' HD3' ' A' ' 31' ' ' LYS . 7.6 m0 -103.68 123.96 47.96 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -178.218 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.8 p -112.11 138.39 48.84 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.026 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.496 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 9.2 t80 -111.78 145.33 39.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.952 0.406 . . . . 0.0 111.756 -178.735 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -123.64 82.91 2.07 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.684 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.433 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 14.5 m-20 -45.42 -34.57 3.18 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.833 -179.568 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.62 -34.51 18.3 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -178.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 67.9 p -128.18 16.67 6.67 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 15.5 mttp 47.93 36.85 6.62 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.013 0.435 . . . . 0.0 110.551 -179.587 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.434 ' CG2' HG13 ' A' ' 6' ' ' ILE . 93.3 m -122.86 139.05 54.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.265 -179.226 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.496 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.4 m-85 -107.22 145.1 33.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.976 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -117.2 121.52 41.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.17 0.51 . . . . 0.0 110.996 178.771 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.0 t -102.55 107.45 21.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.499 179.73 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.668 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 17.3 m -97.9 114.1 26.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.012 179.761 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.498 ' CG ' ' HG2' ' A' ' 10' ' ' LYS . 2.1 pp20? . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.234 -0.888 . . . . 0.0 111.483 -178.649 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.74 0.305 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 17.2 m-85 -127.52 146.75 50.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.614 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -107.92 111.25 23.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.956 -179.668 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.526 ' HB ' HG22 ' A' ' 16' ' ' THR . 61.3 t -94.78 127.7 46.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.284 0.564 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.8 mt -101.71 122.2 53.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.427 ' CD1' ' CD1' ' B' ' 7' ' ' LEU . 8.8 mt -101.36 82.45 2.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.704 179.79 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.548 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.8 t-20 -93.65 109.83 21.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.881 -178.268 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.09 -168.21 13.99 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.951 179.329 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.468 ' NZ ' ' HB3' ' A' ' 10' ' ' LYS . 7.6 mtpm? -86.69 -56.94 3.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.05 0.452 . . . . 0.0 110.231 179.504 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.3 p -96.22 -5.65 39.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.638 179.414 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.484 HD13 ' OG1' ' B' ' 16' ' ' THR . 13.6 tp -134.88 135.75 41.87 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.047 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -144.85 144.34 31.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.543 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.454 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.87 -168.8 39.35 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.138 -1.03 . . . . 0.0 113.274 -179.897 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -145.66 151.97 38.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.875 0.369 . . . . 0.0 110.698 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.526 HG22 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -150.53 168.98 22.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.009 -179.47 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.2 p -143.79 120.93 11.47 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -179.027 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.484 ' CA ' HD12 ' B' ' 12' ' ' LEU . 12.1 t -108.33 147.57 31.3 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.762 178.589 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -108.08 118.53 37.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.65 0.262 . . . . 0.0 110.389 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.465 ' HB1' ' HA ' ' A' ' 26' ' ' ALA . . . -149.24 152.12 35.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.19 0.519 . . . . 0.0 112.007 -179.34 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -50.9 -28.4 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.538 -179.229 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.457 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 5.7 p-10 -153.01 170.79 19.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.976 0.417 . . . . 0.0 111.511 179.561 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -57.29 -41.65 80.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.341 -179.672 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.14 -55.32 26.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.045 179.238 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.457 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 29.9 p -51.69 -45.06 63.35 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.396 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.465 ' HA ' ' HB1' ' A' ' 20' ' ' ALA . . . -60.83 -52.26 65.83 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.12 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.504 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 44.2 tt0 -52.81 -48.71 66.73 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.748 178.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -59.0 -40.72 85.75 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.7 t -60.77 -34.86 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.966 179.272 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.456 HG13 ' CZ3' ' B' ' 43' ' ' TRP . 10.6 t -67.29 -49.44 72.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.876 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.504 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 3.5 mptp? -47.27 -45.45 23.97 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.165 0.507 . . . . 0.0 109.925 178.354 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.508 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 8.2 tt0 -68.85 -39.79 79.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.717 179.329 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.505 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 65.3 t80 -51.3 -50.1 60.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.42 178.64 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.441 ' CE2' HG12 ' A' ' 30' ' ' VAL . 25.2 m-85 -77.19 -36.8 54.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.15 178.496 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.508 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 25.2 t-20 -50.52 -40.64 52.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.491 0.662 . . . . 0.0 109.755 178.16 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -94.52 -24.34 17.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.738 -1.119 . . . . 0.0 112.719 -179.356 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 90.7 m-20 -78.74 -46.61 18.54 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.442 178.718 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.57 -120.34 0.0 OUTLIER Glycine 0 C--N 1.335 0.508 0 CA-C-N 114.886 -1.052 . . . . 0.0 115.584 179.327 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.434 ' CG1' ' O ' ' A' ' 39' ' ' VAL . 43.0 t -111.41 4.57 8.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -176.592 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.41 12.27 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.812 -0.555 . . . . 0.0 111.971 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.44 174.25 54.3 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.571 -0.824 . . . . 0.0 113.078 -179.477 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -95.55 102.91 14.75 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.743 0.306 . . . . 0.0 110.515 179.591 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.462 ' CZ3' HG13 ' B' ' 30' ' ' VAL . 6.4 m0 -102.89 122.05 43.75 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.39 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.406 ' OG1' ' OG1' ' A' ' 53' ' ' THR . 51.7 p -105.19 133.79 49.38 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.563 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 15.7 t80 -111.03 144.9 39.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.024 0.44 . . . . 0.0 112.013 -178.491 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -123.79 81.72 1.94 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.241 178.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.12 -36.04 12.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 111.586 -179.329 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.24 -29.43 9.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.888 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.5 p -128.27 11.4 6.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.597 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm 49.47 34.29 6.59 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.01 0.433 . . . . 0.0 110.752 -179.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.4 m -120.51 136.77 54.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.95 -179.371 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.505 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 3.3 m-85 -106.29 144.6 32.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.159 179.62 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.406 ' OG1' ' OG1' ' A' ' 44' ' ' THR . 2.9 p -121.25 128.54 52.49 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.213 0.53 . . . . 0.0 111.089 179.084 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.1 t -107.66 109.54 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.578 179.196 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.551 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 9.2 m -100.61 115.81 31.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.104 0.478 . . . . 0.0 111.718 -178.874 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.987 179.774 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.863 0.363 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -107.56 144.41 34.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.543 179.67 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.429 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 17.3 m-85 -127.47 146.8 50.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.664 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -107.93 111.3 23.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.0 -179.75 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.52 ' HB ' HG22 ' B' ' 16' ' ' THR . 61.3 t -94.72 127.69 46.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.205 0.526 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 67.8 mt -101.78 122.23 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.427 ' CD1' ' CD1' ' A' ' 7' ' ' LEU . 8.9 mt -101.38 82.29 2.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.722 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.551 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.6 t-20 -93.59 109.78 21.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.871 -178.201 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.03 -168.13 13.98 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.999 179.302 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.466 ' NZ ' ' HB3' ' B' ' 10' ' ' LYS . 7.7 mtpm? -86.75 -56.93 3.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.086 0.47 . . . . 0.0 110.214 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 16.5 p -96.24 -5.77 39.57 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.527 179.482 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.484 HD12 ' CA ' ' A' ' 18' ' ' THR . 13.4 tp -134.83 135.78 41.98 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 -179.771 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -144.85 144.34 31.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.517 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.456 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.87 -168.77 39.29 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.134 -1.032 . . . . 0.0 113.27 -179.908 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -145.72 151.91 38.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.751 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.52 HG22 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -150.52 169.01 22.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.998 -179.451 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 63.1 p -143.77 120.89 11.45 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -178.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.481 ' CA ' HD12 ' A' ' 12' ' ' LEU . 12.0 t -108.43 147.49 31.54 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.726 178.56 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -107.93 118.56 37.06 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.463 ' HB1' ' HA ' ' B' ' 26' ' ' ALA . . . -149.29 152.09 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.09 0.471 . . . . 0.0 112.07 -179.363 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.88 -28.51 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.437 -179.191 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.456 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 5.8 p-10 -152.97 170.94 19.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 0.0 111.552 179.594 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.429 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -57.38 -41.63 80.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.327 -179.679 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.09 -55.53 24.63 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.313 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.456 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 30.8 p -51.52 -45.16 62.82 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.442 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.463 ' HA ' ' HB1' ' B' ' 20' ' ' ALA . . . -60.8 -52.37 65.38 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.144 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.509 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 44.1 tt0 -52.79 -48.69 66.68 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.652 179.042 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -59.01 -40.73 85.84 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.899 179.714 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.74 -34.81 60.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.021 179.262 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.462 HG13 ' CZ3' ' A' ' 43' ' ' TRP . 10.7 t -67.4 -49.45 71.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.509 ' HD3' ' O ' ' B' ' 27' ' ' GLU . 3.5 mptp? -47.31 -45.49 24.38 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.302 0.572 . . . . 0.0 109.836 178.461 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . 0.503 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 8.2 tt0 -68.88 -39.75 79.61 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.693 179.471 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.503 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 64.9 t80 -51.28 -50.01 60.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.508 178.495 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.445 ' CB ' ' HA2' ' A' ' 38' ' ' GLY . 25.2 m-85 -77.32 -36.85 53.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.99 178.6 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.503 ' HB3' ' HA ' ' B' ' 32' ' ' GLN . 25.0 t-20 -50.56 -40.66 52.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.553 0.692 . . . . 0.0 109.699 178.29 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -94.53 -24.22 17.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.812 -179.425 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 90.7 m-20 -78.87 -46.45 18.52 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.408 178.667 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.62 -120.34 0.0 OUTLIER Glycine 0 C--N 1.334 0.472 0 N-CA-C 115.55 0.98 . . . . 0.0 115.55 179.311 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' B' ' 39' ' ' VAL . 43.2 t -111.48 4.73 8.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -176.661 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.4 12.15 8.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.893 -0.504 . . . . 0.0 111.939 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.42 174.26 54.32 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.124 -179.504 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -95.6 102.66 14.48 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.736 0.303 . . . . 0.0 110.563 179.71 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.456 ' CZ3' HG13 ' A' ' 30' ' ' VAL . 6.4 m0 -102.74 122.12 43.83 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.36 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.404 ' OG1' ' OG1' ' B' ' 53' ' ' THR . 49.8 p -105.19 133.9 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 177.535 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 15.6 t80 -111.03 145.02 39.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.05 0.453 . . . . 0.0 112.017 -178.538 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -123.99 81.86 1.96 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.161 178.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.2 -36.05 12.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.567 -179.37 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.19 -29.42 9.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.864 -179.467 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 76.4 p -128.25 11.3 6.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.601 0.238 . . . . 0.0 111.577 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm 49.53 34.2 6.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.024 0.44 . . . . 0.0 110.761 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 97.4 m -120.5 136.8 54.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.025 -179.496 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.505 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 3.3 m-85 -106.27 144.56 32.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.17 179.683 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.404 ' OG1' ' OG1' ' B' ' 44' ' ' THR . 2.9 p -121.22 128.63 52.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.194 0.521 . . . . 0.0 111.083 179.112 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 47.4 t -107.74 109.6 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.563 179.226 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.548 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 9.4 m -100.59 115.86 31.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.949 0.404 . . . . 0.0 111.691 -178.792 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.92 179.878 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.7 0.286 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 17' ' ' THR . 74.5 m-85 -129.87 145.45 51.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.588 179.904 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' B' ' 51' ' ' THR . 38.5 ttpt -112.57 110.93 21.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.952 0.406 . . . . 0.0 110.547 179.829 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 16' ' ' THR . 58.9 t -93.95 131.64 40.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.368 0.604 . . . . 0.0 111.091 -179.481 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.462 HG13 ' CG2' ' B' ' 51' ' ' THR . 82.9 mt -100.93 126.76 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.328 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.489 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.0 mt -105.85 85.79 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.324 -179.173 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.716 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.3 m120 -89.87 102.07 14.77 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.416 -178.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.15 149.99 17.99 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.233 179.165 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -44.81 -56.6 4.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.886 0.374 . . . . 0.0 111.833 -179.598 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.449 ' HB ' HG12 ' B' ' 29' ' ' VAL . 9.5 p -99.42 -4.88 30.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.984 -178.762 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 9' ' ' GLY . 13.6 tp -135.25 136.44 41.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.663 0.268 . . . . 0.0 110.985 -179.532 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -145.34 144.72 30.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.521 179.623 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.514 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.8 -168.75 39.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.073 -1.061 . . . . 0.0 113.55 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.418 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 54.4 mp0 -143.78 140.18 29.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.864 0.364 . . . . 0.0 110.382 179.708 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.514 ' HA ' ' HA3' ' B' ' 14' ' ' GLY . 0.0 OUTLIER -137.86 168.79 18.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.189 -179.611 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 72.3 p -143.75 119.55 10.54 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.505 ' CA ' HD11 ' B' ' 12' ' ' LEU . 8.9 t -108.15 144.2 35.88 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.581 178.757 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -103.77 115.24 30.11 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 179.607 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.55 149.94 33.55 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 121.232 0.539 . . . . 0.0 111.984 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.5 t -51.06 -36.98 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.965 -178.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -146.18 171.86 14.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.941 0.401 . . . . 0.0 111.161 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.85 87.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.506 -179.447 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.07 -55.02 33.31 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.566 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.1 p -51.9 -46.02 64.43 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.361 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -53.79 54.34 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.479 ' OE2' ' CE3' ' B' ' 43' ' ' TRP . 15.7 tp10 -49.19 -48.61 45.09 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.593 178.621 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -64.17 -45.76 86.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.28 179.397 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.452 HG12 ' HB ' ' B' ' 11' ' ' THR . 84.6 t -59.87 -40.05 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.273 179.294 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.481 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 46.7 t -66.57 -49.3 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.523 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.498 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 10.0 mtpm? -49.62 -43.78 46.89 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.047 0.451 . . . . 0.0 110.003 178.666 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -60.41 -35.87 76.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.327 178.847 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' B' ' 7' ' ' LEU . 23.1 t80 -54.13 -63.71 1.06 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.142 179.207 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.479 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 23.8 m-85 -68.3 -39.78 81.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.546 179.486 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.423 ' ND2' ' CG2' ' B' ' 39' ' ' VAL . 28.9 t-20 -51.08 -38.09 49.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.523 0.678 . . . . 0.0 109.503 178.336 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -94.51 -26.03 16.6 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 114.752 -1.113 . . . . 0.0 112.606 -179.622 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.458 ' O ' ' C ' ' A' ' 38' ' ' GLY . 86.9 m-20 -77.33 -43.35 33.32 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.186 0.517 . . . . 0.0 109.818 179.148 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.85 -117.97 0.0 OUTLIER Glycine 0 C--N 1.332 0.324 0 CA-C-N 114.43 -1.259 . . . . 0.0 115.666 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.429 ' CG2' ' ND2' ' B' ' 35' ' ' ASN . 69.9 t -84.34 -55.53 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -176.005 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -88.21 25.89 1.52 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -177.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.73 159.26 53.76 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 119.895 -1.145 . . . . 0.0 112.01 179.404 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -90.43 98.74 11.95 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.814 0.307 . . . . 0.0 110.306 179.528 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.473 ' CE3' ' OE2' ' B' ' 27' ' ' GLU . 5.4 m0 -101.36 120.74 40.72 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.368 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.2 p -104.35 133.44 49.24 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.814 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.501 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 14.2 t80 -108.69 141.97 39.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.036 0.446 . . . . 0.0 111.868 -178.851 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -123.59 81.41 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.353 178.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.11 -34.37 5.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.545 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.03 -32.52 15.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.025 -179.402 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -128.1 13.02 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm 53.58 31.94 13.45 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.829 0.347 . . . . 0.0 110.422 -179.777 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 96.8 m -111.78 136.3 51.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.637 -178.896 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 4.8 m-85 -108.7 95.35 5.59 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.232 0.539 . . . . 0.0 111.693 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.5 p -75.42 127.27 32.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.891 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -117.86 121.74 68.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.462 178.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.725 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 19.4 m -117.25 128.77 55.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.89 0.376 . . . . 0.0 111.636 -179.108 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.864 -179.75 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.947 0.403 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -102.08 135.98 42.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.586 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' B' ' 17' ' ' THR . 75.8 m-85 -129.98 145.75 51.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.542 179.882 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 51' ' ' THR . 38.5 ttpt -112.77 110.92 21.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.538 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.449 ' HB ' HG23 ' B' ' 16' ' ' THR . 57.8 t -93.91 131.67 40.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.274 0.559 . . . . 0.0 111.147 -179.528 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.46 HG13 ' CG2' ' A' ' 51' ' ' THR . 82.6 mt -100.91 126.68 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.326 179.633 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.2 mt -105.92 85.89 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.355 -179.274 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.725 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.4 m120 -89.74 102.03 14.72 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.386 -178.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.02 150.1 18.01 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.25 179.084 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -44.99 -56.55 4.52 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.452 ' HB ' HG12 ' A' ' 29' ' ' VAL . 9.7 p -99.31 -5.2 30.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.007 -178.748 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' B' ' 9' ' ' GLY . 13.6 tp -134.99 136.51 42.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.639 0.256 . . . . 0.0 111.03 -179.543 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -145.43 144.61 30.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.517 179.685 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.514 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.9 -169.0 39.64 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.069 -1.063 . . . . 0.0 113.599 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 54.5 mp0 -143.67 140.08 29.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.024 0.44 . . . . 0.0 110.277 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.514 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -137.64 168.84 18.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.22 -179.606 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' B' ' 3' ' ' TYR . 72.5 p -143.83 119.64 10.55 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -178.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.498 ' CA ' HD11 ' A' ' 12' ' ' LEU . 8.9 t -108.26 144.08 36.22 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.65 178.684 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -103.73 115.19 30.03 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.665 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.52 149.92 33.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.19 0.519 . . . . 0.0 112.041 -179.245 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.4 t -51.17 -36.78 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.993 -178.781 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -146.19 171.81 14.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.776 0.322 . . . . 0.0 111.287 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.99 87.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.518 -179.441 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.8 -55.3 31.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.501 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 74.8 p -51.67 -46.12 63.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.411 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.14 -53.64 55.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.473 ' OE2' ' CE3' ' A' ' 43' ' ' TRP . 15.7 tp10 -49.27 -48.48 45.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.55 178.627 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -64.32 -45.53 87.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.388 179.373 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.449 HG12 ' HB ' ' A' ' 11' ' ' THR . 84.3 t -60.1 -40.02 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.202 179.256 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.481 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 46.7 t -66.63 -49.34 75.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.553 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.492 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 10.0 mtpm? -49.61 -43.81 46.79 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 121.036 0.446 . . . . 0.0 109.954 178.697 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -60.27 -35.87 76.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.37 178.781 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 7' ' ' LEU . 23.4 t80 -54.22 -63.71 1.06 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.024 179.264 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.479 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 23.8 m-85 -68.35 -39.72 81.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.488 179.595 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.429 ' ND2' ' CG2' ' A' ' 39' ' ' VAL . 28.9 t-20 -51.05 -38.24 50.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.505 0.669 . . . . 0.0 109.416 178.335 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -94.47 -25.89 16.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.594 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' B' ' 38' ' ' GLY . 86.9 m-20 -77.53 -43.26 32.6 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.119 0.485 . . . . 0.0 109.701 179.263 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.93 -117.97 0.0 OUTLIER Glycine 0 C--N 1.331 0.272 0 CA-C-N 114.48 -1.236 . . . . 0.0 115.685 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.423 ' CG2' ' ND2' ' A' ' 35' ' ' ASN . 68.8 t -84.3 -55.21 7.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 -175.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -88.57 25.89 1.6 Allowed 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -177.186 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.57 159.28 53.68 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 119.889 -1.148 . . . . 0.0 112.078 179.286 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -90.6 98.69 11.92 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.825 0.313 . . . . 0.0 110.306 179.607 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.479 ' CE3' ' OE2' ' A' ' 27' ' ' GLU . 5.4 m0 -101.08 120.74 40.64 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -178.43 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 67.3 p -104.34 133.79 48.64 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.723 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 14.2 t80 -109.02 141.98 40.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.111 0.481 . . . . 0.0 111.834 -178.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -123.59 81.45 1.9 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.227 179.073 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.02 -34.49 5.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.551 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.1 -32.42 15.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.016 -179.23 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 72.4 p -128.0 12.88 6.74 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm 53.63 31.91 13.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.851 0.358 . . . . 0.0 110.484 -179.733 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 96.3 m -111.69 136.32 51.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.585 -178.895 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 4.9 m-85 -108.82 95.51 5.7 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.322 0.582 . . . . 0.0 111.63 179.679 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.6 p -75.41 126.97 32.09 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.965 179.703 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -117.72 121.94 68.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.383 178.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.716 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 19.5 m -117.28 128.76 55.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 0.0 111.582 -179.032 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.946 -179.754 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 N--CA 1.456 -0.137 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.446 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 19.8 m-85 -127.25 143.45 51.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.947 0.403 . . . . 0.0 111.027 -179.626 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' B' ' 51' ' ' THR . 62.5 tttp -108.75 109.82 21.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.412 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.465 ' HB ' HG22 ' A' ' 16' ' ' THR . 61.7 t -94.84 137.56 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.06 0.457 . . . . 0.0 111.12 -179.701 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.443 HG13 ' CG2' ' B' ' 51' ' ' THR . 82.8 mt -109.1 125.8 66.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.246 179.483 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.452 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.2 mt -102.2 82.31 2.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.804 -179.675 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.669 ' O ' ' HA ' ' B' ' 55' ' ' THR . 30.2 t-20 -91.5 108.95 20.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.692 -178.457 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -116.82 -169.29 15.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.139 179.347 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -80.76 -53.27 6.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.921 0.391 . . . . 0.0 110.309 179.407 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.431 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 17.5 p -104.84 1.08 28.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.042 -179.791 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.502 HD12 ' CA ' ' B' ' 18' ' ' THR . 20.9 tp -137.98 137.4 37.88 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.043 0.449 . . . . 0.0 111.682 -179.07 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.432 ' HD2' ' C ' ' A' ' 12' ' ' LEU . 1.2 mptp? -142.56 144.75 33.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.935 179.284 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -173.28 -176.82 42.08 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 119.91 -1.138 . . . . 0.0 113.505 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -140.71 135.27 31.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.279 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.469 ' OG1' HD13 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -137.27 166.87 22.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.342 -179.182 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.8 p -143.77 119.55 10.53 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -179.12 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.505 ' CA ' HD12 ' B' ' 12' ' ' LEU . 15.4 t -108.14 146.19 33.05 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.961 178.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -106.23 117.01 32.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.678 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.41 150.58 33.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.171 0.51 . . . . 0.0 111.891 -179.737 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.2 t -50.84 -27.19 4.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.067 -178.83 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -153.9 175.46 13.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.0 111.319 179.592 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.446 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -60.26 -42.87 96.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.397 -179.595 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.82 -55.26 27.95 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.6 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.9 p -50.68 -45.6 58.27 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.247 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.97 -54.38 46.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.292 177.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.497 ' OE2' ' HD3' ' A' ' 31' ' ' LYS . 5.1 tm-20 -52.82 -46.39 67.71 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.367 179.004 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -62.25 -43.93 97.71 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.28 179.15 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.432 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 95.8 t -59.03 -39.03 77.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.136 179.137 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.521 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 38.9 t -64.13 -47.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.486 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.497 ' HD3' ' OE2' ' A' ' 27' ' ' GLU . 32.0 mmmt -47.46 -50.09 23.91 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.219 0.533 . . . . 0.0 109.843 178.85 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.32 -37.95 79.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.642 179.411 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.521 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 42.7 t80 -53.37 -64.23 0.89 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.102 179.108 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -67.46 -39.15 85.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.633 179.358 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -50.78 -38.78 50.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.475 0.655 . . . . 0.0 109.912 178.519 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -94.3 -23.28 17.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.931 -1.031 . . . . 0.0 112.501 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.468 ' O ' ' C ' ' A' ' 38' ' ' GLY . 86.7 m-20 -80.64 -46.41 15.68 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.953 179.324 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.99 -115.66 0.0 OUTLIER Glycine 0 C--N 1.333 0.362 0 N-CA-C 115.612 1.005 . . . . 0.0 115.612 179.831 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.0 t -105.85 0.05 10.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -176.072 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.79 15.0 8.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 119.064 0.847 . . . . 0.0 112.208 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.99 166.67 53.06 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.62 -0.8 . . . . 0.0 113.406 -179.387 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 45.1 mp0 -94.8 100.7 12.55 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.245 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.465 ' CH2' ' HD2' ' B' ' 31' ' ' LYS . 8.0 m0 -99.98 121.6 41.61 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -178.117 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.8 p -101.39 134.49 44.4 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.097 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.532 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 3.7 t80 -107.87 137.79 45.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.792 0.33 . . . . 0.0 111.44 -178.769 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -123.42 81.78 1.93 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.51 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.426 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 7.5 m-20 -46.82 -36.33 7.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.441 -179.652 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.41 -32.08 25.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.089 -179.29 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.1 p -123.04 11.59 9.55 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.313 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HA ' ' CE ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER 50.26 36.83 13.53 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.852 0.358 . . . . 0.0 110.728 179.862 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 99.5 m -123.66 143.49 50.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.8 -178.66 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.532 ' CE1' ' CD1' ' A' ' 45' ' ' TYR . 90.0 m-85 -111.46 94.91 5.2 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.274 0.559 . . . . 0.0 111.846 179.696 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -72.74 127.6 33.04 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.252 179.4 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.2 t -111.99 111.05 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.237 179.602 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.669 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 29.8 m -103.36 118.99 38.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.561 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.832 -179.66 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.429 ' HE3' ' CZ ' ' B' ' 3' ' ' TYR . 46.6 ttp . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.857 0.361 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -98.86 136.95 38.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.983 179.357 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.45 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 19.9 m-85 -127.33 143.48 51.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.888 0.375 . . . . 0.0 111.083 -179.641 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 51' ' ' THR . 62.4 tttp -108.85 109.77 20.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.377 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.469 ' HB ' HG22 ' B' ' 16' ' ' THR . 61.4 t -94.74 137.56 22.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.067 0.46 . . . . 0.0 111.01 -179.669 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.436 HG13 ' CG2' ' A' ' 51' ' ' THR . 82.8 mt -109.01 125.97 66.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.249 179.348 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.2 mt -102.35 82.21 2.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.864 -179.762 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.669 ' O ' ' HA ' ' A' ' 55' ' ' THR . 30.4 t-20 -91.42 108.91 20.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.758 -178.466 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -116.85 -169.34 15.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.123 179.473 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -80.83 -53.16 6.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.971 0.415 . . . . 0.0 110.303 179.42 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.432 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 17.5 p -104.92 1.06 28.49 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.029 -179.775 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.505 HD12 ' CA ' ' A' ' 18' ' ' THR . 21.3 tp -137.93 137.53 38.09 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.054 0.454 . . . . 0.0 111.657 -179.07 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.434 ' HD2' ' C ' ' B' ' 12' ' ' LEU . 1.2 mptp? -142.62 144.74 32.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.902 179.318 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -173.25 -176.88 42.09 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 119.943 -1.123 . . . . 0.0 113.433 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -140.71 135.34 31.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 110.302 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.469 HG22 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -137.36 166.9 22.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.271 -179.204 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.3 p -143.75 119.43 10.46 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -179.117 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.502 ' CA ' HD12 ' A' ' 12' ' ' LEU . 15.3 t -107.98 146.39 32.54 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.984 178.912 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -106.48 116.95 32.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.657 0.265 . . . . 0.0 110.652 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.15 150.5 33.92 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.122 0.487 . . . . 0.0 111.906 -179.684 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.2 t -50.82 -27.18 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.012 -178.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -153.99 175.38 13.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.794 0.331 . . . . 0.0 111.298 179.646 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . 0.45 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.2 -42.9 96.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.429 -179.556 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.69 -55.34 27.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.435 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 51.6 p -50.54 -45.76 57.04 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.198 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.0 -54.44 46.08 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.208 178.017 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.502 ' OE2' ' HD3' ' B' ' 31' ' ' LYS . 5.1 tm-20 -52.83 -46.34 67.72 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.255 179.073 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -62.26 -44.2 97.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.204 179.272 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.431 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 97.0 t -58.78 -39.09 75.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.087 179.24 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.522 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 38.9 t -64.06 -47.59 89.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.455 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.502 ' HD3' ' OE2' ' B' ' 27' ' ' GLU . 31.9 mmmt -47.4 -50.08 23.33 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.199 0.523 . . . . 0.0 109.882 178.821 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.39 -38.0 79.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.699 179.404 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.522 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 42.7 t80 -53.37 -64.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.05 179.105 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -67.48 -39.14 85.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.593 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -50.93 -38.73 51.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.413 0.625 . . . . 0.0 109.912 178.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -94.33 -23.17 17.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.406 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' B' ' 38' ' ' GLY . 86.6 m-20 -80.77 -46.34 15.57 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.605 -0.438 . . . . 0.0 109.958 179.311 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.19 -115.53 0.0 OUTLIER Glycine 0 CA--C 1.52 0.38 0 CA-C-N 114.99 -1.004 . . . . 0.0 115.463 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 25.5 t -105.82 -0.13 10.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -176.09 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.72 15.21 8.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 119.113 0.87 . . . . 0.0 112.041 -179.767 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.94 166.67 53.11 Favored Glycine 0 CA--C 1.519 0.344 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.298 -179.462 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.459 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 45.2 mp0 -94.68 100.97 12.81 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.231 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.473 ' CH2' ' HD2' ' A' ' 31' ' ' LYS . 7.9 m0 -100.22 121.49 41.53 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -178.249 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 65.0 p -101.31 134.42 44.4 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.11 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.535 ' CD1' ' CE1' ' B' ' 52' ' ' PHE . 3.8 t80 -107.79 137.78 45.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.719 0.295 . . . . 0.0 111.511 -178.834 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -123.37 81.64 1.91 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.668 179.525 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.424 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 7.5 m-20 -46.74 -36.32 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.428 -179.507 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.4 -31.98 24.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.169 -179.298 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.7 p -123.1 11.55 9.51 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.245 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.425 ' CE ' ' HA ' ' B' ' 50' ' ' LYS . 0.0 OUTLIER 50.26 36.88 13.65 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.802 0.334 . . . . 0.0 110.707 179.843 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 99.7 m -123.71 143.6 50.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.83 -178.732 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.535 ' CE1' ' CD1' ' B' ' 45' ' ' TYR . 89.8 m-85 -111.51 94.96 5.23 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.12 0.486 . . . . 0.0 111.894 179.69 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -72.73 127.77 33.54 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.316 179.426 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 67.3 t -112.16 111.04 34.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.199 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.669 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 30.4 m -103.49 119.01 38.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 -179.432 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.148 -0.929 . . . . 0.0 110.762 -179.64 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -123.7 147.29 47.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.98 0.419 . . . . 0.0 111.204 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.48 ' HB2' ' NZ ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -96.55 108.62 21.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.558 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.517 ' HB ' HG22 ' A' ' 16' ' ' THR . 75.9 t -97.32 116.89 40.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.135 0.493 . . . . 0.0 110.22 179.491 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' B' ' 53' ' ' THR . 62.1 mt -101.86 126.1 55.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.507 -179.085 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.46 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 47.4 mt -107.35 91.93 3.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.24 179.799 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.717 ' O ' ' HA ' ' B' ' 55' ' ' THR . 81.2 m-20 -100.13 109.25 21.52 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.285 -179.087 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.38 -169.76 15.46 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.714 178.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -85.68 -53.37 5.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.239 0.543 . . . . 0.0 110.0 179.204 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.434 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 10.0 p -98.89 -5.55 30.61 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.78 179.793 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.488 HD12 ' CA ' ' B' ' 18' ' ' THR . 16.4 tp -135.45 135.76 40.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.194 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -145.03 144.39 30.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.171 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.517 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -179.68 -168.35 38.37 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 119.911 -1.138 . . . . 0.0 113.596 -179.856 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -145.82 142.38 28.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.956 0.407 . . . . 0.0 110.81 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.517 HG22 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -141.38 169.09 18.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.815 -179.652 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.9 p -143.42 121.97 12.48 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -178.589 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.496 ' CA ' HD12 ' B' ' 12' ' ' LEU . 11.6 t -108.97 146.13 34.35 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.588 178.451 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -107.33 116.28 31.66 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 179.666 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.05 149.29 34.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.145 0.498 . . . . 0.0 111.85 -179.556 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.5 t -50.97 -26.68 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.802 -179.012 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -155.89 178.41 10.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.866 0.365 . . . . 0.0 111.467 179.636 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.92 99.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.431 -179.62 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.51 -54.84 37.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.088 179.354 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.9 p -50.5 -45.34 56.38 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.283 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.44 -51.63 69.05 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.284 177.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.645 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 17.0 tp10 -50.09 -51.19 44.79 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.743 179.127 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -64.39 -49.25 72.33 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 179.475 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.432 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 63.7 t -54.97 -41.78 60.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.02 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.423 HG13 ' CH2' ' B' ' 43' ' ' TRP . 66.6 t -66.68 -49.51 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 177.685 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.645 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 4.3 mmmp? -46.77 -49.28 20.02 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.484 178.625 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.447 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 7.5 tp60 -61.39 -34.44 75.33 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.277 -179.126 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.462 ' CZ ' ' HB3' ' B' ' 7' ' ' LEU . 24.8 t80 -51.61 -72.21 0.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.11 179.206 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.462 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 31.3 m-85 -61.61 -37.47 84.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.407 ' ND2' ' CG2' ' B' ' 39' ' ' VAL . 28.4 t-20 -51.27 -38.67 54.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.434 0.635 . . . . 0.0 109.793 178.655 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.52 -24.12 17.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.525 -179.892 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' GLY . 85.0 m-20 -80.15 -43.18 22.06 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.014 0.435 . . . . 0.0 110.351 179.795 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.88 -114.6 0.0 OUTLIER Glycine 0 CA--C 1.521 0.411 0 CA-C-N 114.676 -1.147 . . . . 0.0 115.785 -179.847 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.417 ' O ' ' HE2' ' B' ' 31' ' ' LYS . 96.2 t -82.01 -55.38 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 -176.041 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -89.9 25.48 2.08 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -177.29 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.1 144.5 47.98 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.163 -1.018 . . . . 0.0 112.407 179.537 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -80.85 93.55 6.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.754 0.311 . . . . 0.0 110.328 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.464 ' CE3' ' OE2' ' B' ' 27' ' ' GLU . 6.1 m0 -106.52 133.9 50.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.959 -178.873 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.0 p -113.13 143.88 43.61 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 177.806 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 9.5 t80 -112.72 142.85 44.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.066 0.46 . . . . 0.0 111.906 -178.599 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -123.32 85.45 2.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.488 179.509 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 13.7 m-20 -46.73 -38.21 9.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.798 -179.374 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.86 -31.99 13.32 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.066 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.9 p -128.39 12.43 6.48 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.843 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 mttt 47.98 35.46 5.08 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.899 0.381 . . . . 0.0 110.655 -179.557 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.4 m -116.75 141.7 47.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.454 -179.325 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.494 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.0 m-85 -112.48 144.47 41.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.97 179.377 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.471 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 3.1 p -122.35 128.8 51.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.145 0.498 . . . . 0.0 111.579 179.486 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.0 t -108.07 112.39 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.164 179.388 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.718 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 45.5 m -103.75 118.35 36.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.67 -179.059 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' OE1' ' C ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.482 -179.87 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.4 mtp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.932 0.396 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -105.95 142.82 35.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.954 179.168 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -123.6 147.38 47.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.006 0.431 . . . . 0.0 111.182 -179.748 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.479 ' NZ ' ' HB2' ' B' ' 4' ' ' LYS . 0.1 OUTLIER -96.63 108.66 21.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.565 179.927 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.517 ' HB ' HG22 ' B' ' 16' ' ' THR . 73.7 t -97.31 116.91 40.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.089 0.471 . . . . 0.0 110.247 179.467 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.471 ' O ' ' HA ' ' A' ' 53' ' ' THR . 62.7 mt -101.88 126.12 55.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.506 -179.021 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 48.1 mt -107.46 92.08 3.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.117 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.718 ' O ' ' HA ' ' A' ' 55' ' ' THR . 81.2 m-20 -100.22 109.28 21.52 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.222 -179.069 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.46 -169.59 15.37 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.689 178.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' B' ' 10' ' ' LYS . 0.7 OUTLIER -85.77 -53.43 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.224 0.535 . . . . 0.0 109.901 179.303 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.432 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 10.1 p -98.97 -5.48 30.48 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.744 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.496 HD12 ' CA ' ' A' ' 18' ' ' THR . 16.2 tp -135.51 135.72 40.65 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.017 0.437 . . . . 0.0 111.159 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -144.95 144.54 31.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.112 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.515 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -179.69 -168.34 38.36 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 119.889 -1.148 . . . . 0.0 113.632 -179.856 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -145.86 142.29 28.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.936 0.398 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.517 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -141.41 169.02 18.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.883 -179.656 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 66.6 p -143.39 122.02 12.54 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.632 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.488 ' CA ' HD12 ' A' ' 12' ' ' LEU . 11.6 t -108.83 146.1 34.2 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.74 178.421 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -107.34 116.31 31.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 179.745 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.17 149.25 34.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.203 0.525 . . . . 0.0 111.789 -179.526 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.8 t -50.98 -26.71 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.753 -178.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -155.75 178.5 10.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.796 0.331 . . . . 0.0 111.533 179.559 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.07 99.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.346 -179.676 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.46 -54.93 36.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.936 179.532 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 52.2 p -50.47 -45.39 56.17 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.351 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.55 -51.58 69.27 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.211 178.108 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.649 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 17.0 tp10 -50.12 -51.22 44.85 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.699 179.131 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -64.31 -49.34 72.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.752 179.43 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.434 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 62.9 t -55.07 -41.66 60.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.05 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.425 HG13 ' CH2' ' A' ' 43' ' ' TRP . 66.6 t -66.66 -49.49 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 177.665 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.649 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 4.2 mmmp? -46.84 -49.31 20.31 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.463 178.672 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . 0.452 ' HA ' ' NE2' ' B' ' 32' ' ' GLN . 7.7 tp60 -61.27 -34.53 75.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.294 -179.175 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.46 ' CG ' HD21 ' A' ' 12' ' ' LEU . 24.3 t80 -51.57 -72.32 0.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.141 179.202 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.462 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 31.1 m-85 -61.52 -37.38 83.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.986 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.403 ' ND2' ' CG2' ' A' ' 39' ' ' VAL . 28.2 t-20 -51.24 -38.86 54.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.506 0.67 . . . . 0.0 109.733 178.642 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.5 -24.07 17.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.749 -1.114 . . . . 0.0 112.496 -179.773 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' B' ' 38' ' ' GLY . 84.9 m-20 -80.13 -43.29 21.91 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.089 0.471 . . . . 0.0 110.29 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.85 -114.58 0.0 OUTLIER Glycine 0 CA--C 1.52 0.405 0 CA-C-N 114.752 -1.113 . . . . 0.0 115.824 -179.837 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.413 ' O ' ' HE2' ' A' ' 31' ' ' LYS . 96.2 t -82.06 -55.46 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 -175.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -89.78 25.32 2.09 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -177.315 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.99 144.5 48.15 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.091 -1.052 . . . . 0.0 112.473 179.531 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -80.78 93.59 6.25 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.742 0.306 . . . . 0.0 110.394 179.475 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.464 ' CE3' ' OE2' ' A' ' 27' ' ' GLU . 6.0 m0 -106.56 133.95 50.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.009 -178.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 44.7 p -113.09 143.82 43.69 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.83 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.492 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 9.4 t80 -112.69 142.87 44.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.07 0.462 . . . . 0.0 112.03 -178.673 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -123.22 85.45 2.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.473 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.418 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 13.6 m-20 -46.64 -38.34 9.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.804 -179.417 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.9 -31.98 13.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 112.044 -178.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 67.9 p -128.31 12.43 6.52 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.874 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 28.1 mttt 47.99 35.47 5.1 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.903 0.382 . . . . 0.0 110.625 -179.536 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 87.3 m -116.74 141.65 47.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.516 -179.347 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.492 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 2.0 m-85 -112.4 144.53 41.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.965 179.373 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.1 p -122.3 128.95 51.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.029 0.442 . . . . 0.0 111.554 179.449 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.4 t -108.22 112.37 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.074 179.445 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.717 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 46.3 m -103.69 118.48 36.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.695 -179.156 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.415 ' C ' ' OE1' ' B' ' 56' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.523 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? . . . . . 0 CA--C 1.527 0.078 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -125.42 142.05 51.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.818 0.342 . . . . 0.0 110.785 -179.736 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.468 ' HB2' ' NZ ' ' A' ' 4' ' ' LYS . 4.8 ttmp? -105.54 112.73 25.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.956 -179.744 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.524 ' HB ' HG21 ' A' ' 16' ' ' THR . 69.7 t -95.28 133.26 36.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.117 0.484 . . . . 0.0 110.473 179.56 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.449 ' CG2' ' ND2' ' A' ' 8' ' ' ASN . 70.0 mt -107.98 124.48 64.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.158 -179.299 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.466 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 15.9 mt -105.67 84.8 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.122 0.487 . . . . 0.0 110.218 -179.814 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.756 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.5 m120 -93.81 108.82 20.54 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.359 -179.158 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.55 -167.47 14.7 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.043 178.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.585 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.1 mmpt? -82.3 -54.97 4.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.081 0.467 . . . . 0.0 110.127 179.52 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.462 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 14.5 p -102.64 -0.97 31.04 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.304 -179.74 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.467 HD13 ' HB ' ' B' ' 18' ' ' THR . 24.6 tp -137.0 136.61 38.62 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.102 0.477 . . . . 0.0 111.478 -179.499 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -145.25 145.27 31.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.157 179.496 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.475 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.34 -176.69 43.82 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 119.896 -1.145 . . . . 0.0 113.499 -179.695 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -136.56 135.05 38.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.31 . . . . 0.0 110.283 179.52 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.524 HG21 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -135.34 167.0 21.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.053 -179.713 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.4 p -143.72 122.8 12.87 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.807 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.464 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.2 t -111.55 145.9 38.28 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.498 178.562 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -107.91 117.11 33.26 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 179.796 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.75 152.39 38.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.199 0.523 . . . . 0.0 111.835 -179.412 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.7 t -50.61 -25.29 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.946 -178.787 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -157.15 174.91 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 111.318 179.307 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.87 93.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.521 -179.454 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.6 -54.11 41.08 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.35 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 58.6 p -50.13 -45.55 53.07 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.378 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.99 75.38 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.704 178.317 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' OE2' ' HG3' ' A' ' 31' ' ' LYS . 4.2 tm-20 -55.63 -45.18 77.63 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.627 179.746 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HD2' ' OE1' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -68.07 -47.7 67.59 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.446 179.129 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.464 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 88.9 t -55.35 -41.79 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.565 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.483 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 99.5 t -63.47 -45.42 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.07 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HG3' ' OE2' ' A' ' 27' ' ' GLU . 79.9 mttt -48.64 -47.24 40.51 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-O 121.129 0.49 . . . . 0.0 110.37 178.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.3 -36.36 75.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.862 179.28 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.483 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 36.2 t80 -51.75 -69.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.999 179.183 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.424 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 32.2 m-85 -64.19 -37.62 88.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.957 179.76 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.433 ' ND2' ' CG2' ' B' ' 39' ' ' VAL . 25.0 t-20 -51.41 -38.88 55.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.497 0.665 . . . . 0.0 110.092 178.828 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -94.64 -23.58 17.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.397 -179.85 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 38' ' ' GLY . 85.4 m-20 -79.43 -45.29 19.75 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.243 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.36 -117.21 0.0 OUTLIER Glycine 0 CA--C 1.519 0.327 0 CA-C-N 114.48 -1.236 . . . . 0.0 116.071 179.645 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.427 ' CG2' ' ND2' ' B' ' 35' ' ' ASN . 48.2 t -81.88 -55.55 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -175.88 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -90.98 27.13 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -177.12 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.73 150.84 52.17 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.05 -1.071 . . . . 0.0 112.2 179.331 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -81.22 94.49 6.7 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.343 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.452 ' CH2' ' HA ' ' B' ' 31' ' ' LYS . 8.4 m0 -101.22 122.36 43.5 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -178.367 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -106.9 138.95 42.1 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.641 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 12.4 t80 -111.73 140.93 45.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.011 0.434 . . . . 0.0 111.927 -178.665 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -123.5 81.93 1.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.196 178.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.98 -36.15 16.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.51 -179.526 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.26 -32.0 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.667 -179.632 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.1 p -122.04 11.95 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.575 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp 48.66 36.43 7.72 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.634 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.425 ' CG2' ' O ' ' B' ' 4' ' ' LYS . 99.1 m -129.48 140.67 51.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.016 0.436 . . . . 0.0 111.353 -179.017 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.499 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.1 m-85 -108.75 146.52 33.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.422 178.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -122.71 127.56 49.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.34 0.59 . . . . 0.0 112.227 179.781 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.5 t -107.38 115.73 49.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.232 -0.895 . . . . 0.0 108.975 178.356 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.751 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 4.9 m -111.79 123.17 49.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.09 0.471 . . . . 0.0 112.119 -178.457 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.046 179.731 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.452 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 28.0 ttt . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.935 0.398 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.452 ' N ' ' HG2' ' B' ' 1' ' ' MET . 5.3 tm0? -95.79 128.9 43.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.089 179.342 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.429 ' CE1' ' HB3' ' B' ' 1' ' ' MET . 72.9 m-85 -125.39 142.08 51.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.804 0.335 . . . . 0.0 110.735 -179.728 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.476 ' NZ ' ' HB2' ' B' ' 4' ' ' LYS . 4.8 ttmp? -105.59 112.78 25.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.055 -179.874 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.517 ' HB ' HG21 ' B' ' 16' ' ' THR . 69.1 t -95.28 133.22 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.513 179.613 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.455 ' CG2' ' ND2' ' B' ' 8' ' ' ASN . 69.1 mt -107.99 124.53 64.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.146 -179.281 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 15.9 mt -105.61 84.76 2.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.05 0.452 . . . . 0.0 110.3 -179.836 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.751 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.5 m120 -93.85 108.92 20.64 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.319 -179.036 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.56 -167.42 14.68 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.126 178.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.588 ' HE2' ' HA ' ' B' ' 10' ' ' LYS . 7.1 mmpt? -82.43 -55.01 4.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.086 0.469 . . . . 0.0 110.097 179.503 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.464 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 14.6 p -102.58 -1.02 31.14 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.305 -179.81 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.468 HD11 ' OG1' ' A' ' 16' ' ' THR . 24.6 tp -136.98 136.65 38.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.057 0.456 . . . . 0.0 111.531 -179.561 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -145.27 145.24 31.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.079 179.563 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.31 -176.71 43.81 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 119.979 -1.105 . . . . 0.0 113.558 -179.733 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -136.63 135.09 38.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.91 0.386 . . . . 0.0 110.212 179.53 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.517 HG21 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -135.39 166.99 21.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.033 -179.727 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 70.2 p -143.64 122.76 12.9 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -178.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.467 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.1 t -111.51 145.99 38.07 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.449 178.604 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -107.89 117.0 32.97 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 179.724 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.71 152.52 38.96 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.146 0.498 . . . . 0.0 111.912 -179.495 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 27.1 t -50.56 -25.37 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.923 -178.784 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -157.13 174.87 14.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.891 0.377 . . . . 0.0 111.326 179.388 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.18 -41.82 93.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.487 -179.51 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.74 -54.2 39.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.497 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' B' ' 29' ' ' VAL . 59.3 p -50.09 -45.58 52.71 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.413 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.35 -50.09 75.01 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.754 178.291 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.46 ' OE2' ' HG3' ' B' ' 31' ' ' LYS . 4.2 tm-20 -55.65 -45.09 77.71 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.747 179.704 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.437 ' HD2' ' OE1' ' B' ' 27' ' ' GLU . 0.3 OUTLIER -68.03 -47.82 67.37 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.363 179.044 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.462 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 88.9 t -55.4 -41.82 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.676 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.484 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 100.0 t -63.4 -45.4 98.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.064 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.46 ' HG3' ' OE2' ' B' ' 27' ' ' GLU . 79.9 mttt -48.57 -47.22 39.7 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 121.106 0.479 . . . . 0.0 110.362 178.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.31 -36.38 75.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.835 179.328 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.484 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 36.3 t80 -51.81 -69.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.972 179.275 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.422 ' CZ ' HD21 ' B' ' 7' ' ' LEU . 32.2 m-85 -64.2 -37.66 88.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.997 179.71 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.427 ' ND2' ' CG2' ' A' ' 39' ' ' VAL . 25.1 t-20 -51.29 -38.95 55.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.471 0.653 . . . . 0.0 110.124 178.764 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -94.67 -23.5 17.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.352 -179.776 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' B' ' 38' ' ' GLY . 85.5 m-20 -79.54 -45.12 19.87 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.229 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.53 -117.25 0.0 OUTLIER Glycine 0 CA--C 1.52 0.386 0 CA-C-N 114.419 -1.264 . . . . 0.0 116.014 179.719 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.433 ' CG2' ' ND2' ' A' ' 35' ' ' ASN . 48.4 t -81.86 -55.61 7.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 -175.736 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -90.91 27.19 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.208 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.78 150.92 52.23 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.068 -1.063 . . . . 0.0 112.16 179.386 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.492 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 0.4 OUTLIER -81.46 94.53 6.85 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.458 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.449 ' CH2' ' HA ' ' A' ' 31' ' ' LYS . 8.4 m0 -101.16 122.38 43.52 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.407 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 67.3 p -106.95 138.98 42.1 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.711 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.495 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 12.2 t80 -111.79 141.08 45.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.994 0.426 . . . . 0.0 111.944 -178.654 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -123.55 81.86 1.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.187 179.095 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.02 -36.15 17.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.428 -179.486 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.28 -31.96 23.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.655 -179.568 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 81.1 p -122.11 12.04 10.29 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.616 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp 48.54 36.39 7.41 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.927 0.394 . . . . 0.0 110.789 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 4' ' ' LYS . 99.0 m -129.43 140.67 51.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.45 -179.045 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.495 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 2.2 m-85 -108.76 146.49 33.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.347 179.058 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -122.67 127.56 49.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.355 0.598 . . . . 0.0 112.231 179.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.5 t -107.31 115.62 49.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.0 178.376 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.756 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 5.0 m -111.76 123.32 49.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.132 0.491 . . . . 0.0 112.088 -178.478 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.946 179.823 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.42 ' O ' ' HA ' ' A' ' 17' ' ' THR . 73.7 m-85 -127.26 145.57 50.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.814 0.34 . . . . 0.0 111.188 -179.426 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' B' ' 51' ' ' THR . 24.5 ttmm -109.41 107.95 18.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.26 179.639 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.439 ' HB ' HG21 ' A' ' 16' ' ' THR . 62.1 t -94.24 133.87 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.028 0.442 . . . . 0.0 110.897 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.452 HG13 ' CG2' ' B' ' 51' ' ' THR . 61.3 mt -106.16 129.16 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.055 179.743 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 mt -105.9 93.42 4.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.874 -178.632 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.619 ' O ' ' HA ' ' B' ' 55' ' ' THR . 6.4 m120 -98.71 105.54 17.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.49 -179.627 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.05 -170.01 19.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.464 179.841 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -68.89 -53.03 23.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.878 0.37 . . . . 0.0 111.457 -179.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.495 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 17.9 p -121.3 17.57 11.47 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -178.933 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.674 ' HB3' ' CD1' ' B' ' 33' ' ' PHE . 27.0 tp -141.04 140.27 34.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.006 0.432 . . . . 0.0 110.879 -179.163 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 6.9 mptt -145.11 147.71 32.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.315 179.708 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.465 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.33 -174.3 41.82 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 119.928 -1.129 . . . . 0.0 113.366 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -141.88 133.68 27.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.023 0.44 . . . . 0.0 110.32 179.636 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.473 ' OG1' HD12 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -133.92 168.05 19.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.134 -179.604 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 46.1 p -143.44 119.56 10.75 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.792 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.491 ' CA ' HD11 ' B' ' 12' ' ' LEU . 15.0 t -109.04 144.47 37.01 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.693 178.754 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -104.95 116.36 31.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.13 151.67 36.0 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.291 0.567 . . . . 0.0 111.979 -179.579 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.5 t -50.84 -26.1 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.991 -178.795 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -157.42 175.08 14.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.0 111.347 179.448 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.94 -42.55 94.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.424 -179.589 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.79 -54.47 38.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.006 179.49 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 48.9 p -51.42 -45.96 62.77 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.411 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.54 -52.43 65.58 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.469 ' HG3' ' HE3' ' A' ' 31' ' ' LYS . 37.3 tp10 -51.55 -47.67 63.35 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.503 178.901 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -64.16 -46.1 85.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.469 179.46 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.493 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 74.1 t -58.4 -41.13 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.21 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.549 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 21.3 t -61.43 -44.58 98.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.625 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.469 ' HE3' ' HG3' ' A' ' 27' ' ' GLU . 22.7 mmtp -46.66 -50.24 18.01 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.247 0.546 . . . . 0.0 109.917 179.212 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.454 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -58.91 -35.72 73.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.683 179.047 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.678 ' CD1' ' HB3' ' B' ' 12' ' ' LEU . 54.3 t80 -55.07 -62.46 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.376 179.546 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -70.04 -39.01 76.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.682 179.31 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -50.43 -38.7 44.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.605 0.717 . . . . 0.0 109.927 178.597 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.39 -22.89 18.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.86 -1.064 . . . . 0.0 112.507 -179.744 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.501 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.4 m-20 -81.92 -46.83 13.52 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.145 179.424 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.51 -115.1 0.0 OUTLIER Glycine 0 C--N 1.333 0.395 0 N-CA-C 115.494 0.958 . . . . 0.0 115.494 179.723 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.419 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 22.0 t -110.37 5.24 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -176.361 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.99 12.5 8.38 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.697 -0.627 . . . . 0.0 112.04 -179.891 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.75 174.86 53.17 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.122 -179.593 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 46.6 mp0 -100.0 102.74 14.19 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.491 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.464 ' CH2' ' HD3' ' B' ' 31' ' ' LYS . 7.8 m0 -96.63 118.39 33.01 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.415 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.4 p -102.61 133.38 47.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.074 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.525 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 9.2 t80 -104.96 139.74 39.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.361 . . . . 0.0 111.706 -178.552 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -123.22 81.31 1.87 Allowed 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.649 179.525 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.64 -36.79 25.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.465 -179.605 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.13 -31.73 14.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.168 -179.268 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.9 p -128.23 12.7 6.6 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.627 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER 54.38 31.92 15.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.9 0.381 . . . . 0.0 110.335 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 51.7 m -111.45 154.04 25.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.223 -178.758 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.525 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 3.4 m-85 -129.2 95.03 3.94 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 121.225 0.535 . . . . 0.0 112.106 179.636 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.4 p -72.74 127.9 33.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.873 178.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.0 t -117.7 119.2 60.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.834 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.628 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 28.6 m -102.67 113.8 27.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.063 179.565 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.221 -178.658 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.43 ' HB3' ' CE1' ' B' ' 3' ' ' TYR . 12.0 ttm . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.777 0.322 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -97.0 135.64 38.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.431 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.43 ' CE1' ' HB3' ' B' ' 1' ' ' MET . 74.1 m-85 -127.25 145.44 50.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.799 0.333 . . . . 0.0 111.214 -179.381 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 51' ' ' THR . 24.5 ttmm -109.39 107.95 18.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.302 179.58 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.438 ' HB ' HG21 ' B' ' 16' ' ' THR . 61.6 t -94.22 133.87 33.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.092 0.472 . . . . 0.0 110.79 -179.64 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.454 HG13 ' CG2' ' A' ' 51' ' ' THR . 61.3 mt -106.23 129.24 59.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.089 179.628 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -106.0 93.5 4.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.884 -178.589 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.628 ' O ' ' HA ' ' A' ' 55' ' ' THR . 6.4 m120 -98.72 105.49 17.64 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.423 -179.53 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.99 -170.0 19.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.424 179.786 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -68.93 -52.98 23.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.822 0.344 . . . . 0.0 111.415 -179.653 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.493 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 18.0 p -121.34 17.61 11.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.077 -178.9 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.678 ' HB3' ' CD1' ' A' ' 33' ' ' PHE . 27.0 tp -141.13 140.23 34.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.953 0.406 . . . . 0.0 110.869 -179.171 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' B' ' 13' ' ' LYS . 6.9 mptt -145.11 147.57 32.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.283 179.788 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.24 -174.29 41.73 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.044 -1.074 . . . . 0.0 113.447 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -141.7 133.74 27.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.912 0.387 . . . . 0.0 110.371 179.672 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.47 ' OG1' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -134.05 168.03 19.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.095 -179.564 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' B' ' 3' ' ' TYR . 46.2 p -143.53 119.59 10.72 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.849 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.482 ' CA ' HD11 ' A' ' 12' ' ' LEU . 15.0 t -108.84 144.52 36.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.761 178.595 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -104.91 116.27 31.69 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 179.829 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.11 151.62 35.92 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.279 0.562 . . . . 0.0 111.976 -179.537 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 t -50.77 -26.18 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.07 -178.835 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -157.35 175.05 14.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 111.321 179.485 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.53 94.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.421 -179.587 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.7 -54.64 36.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.981 179.467 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.4 ' O ' ' CG2' ' B' ' 29' ' ' VAL . 51.5 p -51.25 -46.06 62.23 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.378 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.49 -52.49 65.37 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.033 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.47 ' HG3' ' HE3' ' B' ' 31' ' ' LYS . 37.1 tp10 -51.49 -47.77 63.12 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.422 178.871 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -64.12 -46.12 85.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.522 179.555 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.495 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 72.6 t -58.3 -41.24 80.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.251 179.432 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.552 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 21.4 t -61.45 -44.47 98.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.657 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.47 ' HE3' ' HG3' ' B' ' 27' ' ' GLU . 22.8 mmtp -46.71 -50.19 18.31 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 121.262 0.553 . . . . 0.0 109.945 179.177 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . 0.452 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -58.96 -35.63 73.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.708 178.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.674 ' CD1' ' HB3' ' A' ' 12' ' ' LEU . 54.5 t80 -55.05 -62.53 1.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.346 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -70.11 -38.91 75.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.693 179.382 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -50.37 -38.82 44.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.481 0.658 . . . . 0.0 109.947 178.509 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.31 -22.74 18.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.544 -179.76 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.504 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.5 m-20 -82.04 -46.87 13.33 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.045 179.451 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.5 -115.03 0.0 OUTLIER Glycine 0 C--N 1.334 0.417 0 N-CA-C 115.476 0.95 . . . . 0.0 115.476 179.798 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.42 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 22.2 t -110.49 5.18 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -176.154 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.04 12.51 8.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 118.495 0.589 . . . . 0.0 112.032 -179.803 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.82 174.96 53.15 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.073 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.453 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 46.2 mp0 -100.17 102.68 14.05 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.484 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.465 ' CH2' ' HD3' ' A' ' 31' ' ' LYS . 7.7 m0 -96.39 118.34 32.71 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.409 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 45.4 p -102.57 133.41 47.6 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.033 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.521 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 9.3 t80 -104.96 139.6 39.42 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.628 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.14 81.36 1.87 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.935 0.398 . . . . 0.0 110.656 179.543 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.74 -36.6 26.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.544 -179.618 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.16 -31.79 14.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.131 -179.305 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -128.25 12.67 6.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.472 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.479 ' HA ' ' HE3' ' B' ' 50' ' ' LYS . 0.0 OUTLIER 54.41 31.79 15.28 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.831 0.348 . . . . 0.0 110.333 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 51.5 m -111.39 154.1 25.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.215 -178.696 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.521 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 3.4 m-85 -129.26 94.98 3.92 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.252 0.548 . . . . 0.0 112.116 179.636 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.4 p -72.77 127.91 33.94 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.802 178.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -117.64 119.12 60.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.619 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 28.5 m -102.62 113.8 27.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.161 179.493 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.208 -178.644 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.66 0.267 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -123.9 148.41 46.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.577 179.584 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.538 ' O ' ' HA ' ' B' ' 51' ' ' THR . 62.8 tttm -106.28 104.72 14.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.905 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.482 ' HB ' HG21 ' A' ' 16' ' ' THR . 93.2 t -94.69 129.35 45.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.642 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.457 HG13 ' CG2' ' B' ' 51' ' ' THR . 67.7 mt -110.33 131.66 60.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.575 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.491 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 17.1 mt -108.03 92.76 4.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.317 -179.49 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.652 ' O ' ' HA ' ' B' ' 55' ' ' THR . 5.9 m120 -96.44 107.12 19.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.055 -178.789 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -111.47 -175.08 20.03 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.294 179.232 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -78.65 -54.33 6.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.263 0.554 . . . . 0.0 109.723 179.204 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.414 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 3.0 p -103.01 1.03 32.98 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.223 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.47 HD13 ' CA ' ' B' ' 18' ' ' THR . 28.4 tp -136.74 139.73 42.09 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.058 0.456 . . . . 0.0 111.41 -179.54 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -145.19 141.9 29.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.411 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.449 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.54 -173.65 41.45 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.119 -1.039 . . . . 0.0 113.564 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.439 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 52.0 mp0 -139.69 150.83 45.34 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.527 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.482 HG21 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -151.25 166.8 29.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.182 -179.342 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.0 p -143.51 121.36 11.98 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -179.019 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.473 ' CA ' HD13 ' B' ' 12' ' ' LEU . 13.6 t -109.59 145.34 36.56 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.719 178.704 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -106.38 118.15 35.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.73 0.3 . . . . 0.0 110.675 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.409 ' HB2' ' HA ' ' A' ' 26' ' ' ALA . . . -149.4 151.8 34.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.116 0.484 . . . . 0.0 111.992 -179.633 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.2 t -50.98 -26.4 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.785 -179.074 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.454 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 5.8 p-10 -155.11 174.02 15.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.864 0.364 . . . . 0.0 111.475 179.468 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.43 -42.63 92.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.05 -179.704 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.29 -55.81 24.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.547 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.454 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 29.6 p -51.23 -44.37 61.66 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.26 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.409 ' HA ' ' HB2' ' A' ' 20' ' ' ALA . . . -60.79 -52.7 63.96 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.179 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -52.65 -47.26 67.22 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.58 179.116 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.58 -44.43 96.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.044 179.495 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.415 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 91.5 t -60.48 -39.05 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.172 179.194 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.532 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 47.0 t -67.15 -49.54 71.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 178.414 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -47.4 -46.21 25.91 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 121.254 0.549 . . . . 0.0 109.828 178.494 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -61.14 -35.41 77.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.436 179.63 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.532 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 46.7 t80 -55.35 -61.73 2.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.197 179.059 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -68.94 -40.89 78.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.659 179.47 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.404 ' ND2' HG23 ' B' ' 39' ' ' VAL . 27.6 t-20 -50.19 -37.29 34.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.623 0.725 . . . . 0.0 109.667 178.467 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -94.5 -23.82 17.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.641 -1.163 . . . . 0.0 112.452 -179.779 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.45 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.2 m-20 -81.44 -46.6 14.34 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.043 0.449 . . . . 0.0 110.006 179.379 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.2 -114.44 0.0 OUTLIER Glycine 0 CA--C 1.52 0.373 0 N-CA-C 115.962 1.145 . . . . 0.0 115.962 -179.905 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.401 ' CG2' ' ND2' ' B' ' 35' ' ' ASN . 90.4 t -82.88 -55.27 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -175.891 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -90.7 26.87 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -176.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.46 162.87 54.28 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 119.916 -1.135 . . . . 0.0 111.879 179.124 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -91.56 96.63 10.58 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 117.012 0.406 . . . . 0.0 110.348 179.791 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.46 ' CZ3' HG12 ' B' ' 30' ' ' VAL . 7.6 m95 -97.12 118.12 32.82 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.381 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.3 p -107.18 136.96 46.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.025 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.466 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 7.6 t80 -109.28 141.78 41.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 0.0 111.428 -179.217 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -123.23 83.44 2.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 53.7 m-20 -46.78 -37.04 8.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.424 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.97 -35.56 24.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.03 -179.262 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.4 p -128.05 12.63 6.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.673 -179.777 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' NZ ' ' CB ' ' A' ' 50' ' ' LYS . 3.0 mtmp? 47.93 39.18 10.47 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.183 0.516 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.536 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 97.7 m -113.35 148.01 36.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.999 -179.254 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.466 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 17.9 m-85 -117.0 96.22 5.35 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.51 0.671 . . . . 0.0 111.906 -179.828 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -77.36 121.42 23.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.214 179.27 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.4 t -109.5 109.2 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.374 179.53 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.646 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 34.0 m -101.06 118.69 37.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.597 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.265 -179.068 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.866 0.365 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -104.09 129.21 51.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.044 -179.67 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -123.8 148.39 46.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.644 179.637 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 51' ' ' THR . 62.9 tttm -106.28 104.7 14.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.895 -179.77 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.48 ' HB ' HG21 ' B' ' 16' ' ' THR . 92.3 t -94.74 129.35 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.986 0.422 . . . . 0.0 110.603 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.456 HG13 ' CG2' ' A' ' 51' ' ' THR . 67.1 mt -110.28 131.6 60.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.587 179.887 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 17.1 mt -108.0 92.68 4.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.319 -179.516 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.646 ' O ' ' HA ' ' A' ' 55' ' ' THR . 6.0 m120 -96.37 107.14 19.47 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -178.847 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.45 -175.07 20.04 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.174 179.316 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -78.69 -54.32 6.22 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.277 0.561 . . . . 0.0 109.73 179.15 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.415 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 2.9 p -103.12 1.06 32.75 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.13 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.473 HD13 ' CA ' ' A' ' 18' ' ' THR . 28.3 tp -136.71 139.66 42.09 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.062 0.458 . . . . 0.0 111.424 -179.534 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -145.14 142.09 29.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.381 179.837 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.452 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.69 -173.72 41.64 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.075 -1.059 . . . . 0.0 113.567 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 51.7 mp0 -139.62 150.9 45.53 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.53 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.48 HG21 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -151.32 166.74 30.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.168 -179.247 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 68.5 p -143.52 121.39 11.99 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.47 ' CA ' HD13 ' A' ' 12' ' ' LEU . 13.7 t -109.62 145.22 36.8 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.68 178.767 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -106.23 118.11 35.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.653 0.263 . . . . 0.0 110.766 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.407 ' HB2' ' HA ' ' B' ' 26' ' ' ALA . . . -149.47 151.87 34.68 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 121.146 0.498 . . . . 0.0 111.871 -179.642 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.0 t -50.9 -26.49 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.84 -179.109 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.456 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 5.8 p-10 -155.02 174.1 15.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.88 0.372 . . . . 0.0 111.512 179.455 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.58 -42.43 92.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.725 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.3 -55.88 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.953 179.412 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.456 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 29.9 p -51.21 -44.31 61.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.268 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' B' ' 20' ' ' ALA . . . -60.85 -52.47 64.9 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.29 178.111 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -52.91 -47.11 68.21 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.564 179.049 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.64 -44.38 96.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.045 179.427 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.414 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 92.7 t -60.62 -38.97 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.173 179.255 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.529 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 47.2 t -67.23 -49.45 72.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.389 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -47.4 -46.21 25.96 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.362 0.601 . . . . 0.0 109.873 178.496 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -61.11 -35.35 76.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.456 179.625 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.529 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 47.2 t80 -55.52 -61.72 2.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.134 179.124 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -69.02 -40.77 78.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.604 179.492 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.401 ' ND2' ' CG2' ' A' ' 39' ' ' VAL . 27.7 t-20 -50.24 -37.27 34.78 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.682 0.753 . . . . 0.0 109.659 178.459 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -94.5 -23.85 17.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.7 -1.136 . . . . 0.0 112.498 -179.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.449 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.1 m-20 -81.43 -46.4 14.64 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.034 0.445 . . . . 0.0 110.101 179.32 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.45 -114.43 0.0 OUTLIER Glycine 0 CA--C 1.52 0.362 0 N-CA-C 115.978 1.151 . . . . 0.0 115.978 -179.899 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.404 HG23 ' ND2' ' A' ' 35' ' ' ASN . 91.1 t -82.86 -55.19 7.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -175.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -90.58 26.85 1.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 -177.14 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.45 162.75 54.27 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 119.953 -1.118 . . . . 0.0 111.902 179.135 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -91.42 96.58 10.59 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 117.028 0.414 . . . . 0.0 110.378 179.756 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.46 ' CZ3' HG12 ' A' ' 30' ' ' VAL . 7.5 m95 -96.97 117.99 32.37 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.47 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.2 p -107.18 137.06 45.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.091 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.465 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 7.7 t80 -109.4 141.67 41.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.846 0.355 . . . . 0.0 111.37 -179.143 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -123.16 83.5 2.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.004 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 53.9 m-20 -46.82 -36.96 7.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.373 -179.901 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.13 -35.5 26.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.005 -179.264 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 74.2 p -127.96 12.56 6.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.668 -179.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.403 ' CB ' ' NZ ' ' B' ' 50' ' ' LYS . 2.9 mtmp? 47.91 39.15 10.36 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.192 0.52 . . . . 0.0 110.903 -179.894 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.538 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 97.6 m -113.25 147.95 36.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.08 -179.245 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.465 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 18.1 m-85 -116.9 96.22 5.37 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.369 0.604 . . . . 0.0 111.911 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -77.35 121.47 23.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.203 179.27 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 64.6 t -109.56 109.23 27.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.32 179.539 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.652 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 34.2 m -100.98 118.62 37.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.934 -179.644 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.358 -179.14 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 N--CA 1.461 0.098 0 CA-C-O 121.005 0.431 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.462 ' CE2' ' CE ' ' B' ' 50' ' ' LYS . 10.1 m-85 -132.5 151.64 51.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.289 179.542 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' B' ' 51' ' ' THR . 87.8 tttt -109.59 109.84 20.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 111.411 -179.559 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.48 ' HB ' HG23 ' A' ' 16' ' ' THR . 72.6 t -94.86 136.0 27.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.103 179.399 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.457 HG13 ' CG2' ' B' ' 51' ' ' THR . 78.1 mt -114.84 135.35 54.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.049 -179.197 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.465 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 13.9 mt -113.2 104.99 12.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.698 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.676 ' O ' ' HA ' ' B' ' 55' ' ' THR . 6.2 m120 -109.11 107.83 18.28 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.496 -179.574 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.52 -166.19 15.42 Favored Glycine 0 CA--C 1.51 -0.237 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.279 179.343 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -75.71 -55.37 5.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.915 0.388 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.463 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 15.3 p -110.17 8.8 23.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.648 -179.083 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.559 ' HB3' ' CD1' ' B' ' 33' ' ' PHE . 26.7 tp -140.12 138.32 35.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.029 0.442 . . . . 0.0 111.654 -179.402 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -145.77 148.1 32.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.105 179.051 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.462 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -176.2 -173.29 41.72 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 119.84 -1.172 . . . . 0.0 113.835 -179.938 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.438 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 51.3 mp0 -140.09 137.62 34.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.824 0.345 . . . . 0.0 110.293 179.827 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.48 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -138.88 168.88 18.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.429 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 48.8 p -143.4 120.11 11.16 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -178.76 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.492 ' CA ' HD13 ' B' ' 12' ' ' LEU . 15.1 t -108.14 142.72 37.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.591 178.549 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -104.87 115.85 31.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.534 0.207 . . . . 0.0 110.64 179.803 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.42 ' HB2' ' HA ' ' A' ' 26' ' ' ALA . . . -149.04 154.91 39.98 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 121.255 0.55 . . . . 0.0 112.057 -179.632 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.0 t -50.53 -24.33 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.166 -178.581 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -158.16 170.62 21.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.83 0.347 . . . . 0.0 111.506 179.563 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.27 -40.95 87.69 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.517 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.69 -55.54 19.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.863 179.26 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.9 p -53.57 -42.1 67.2 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.294 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.42 ' HA ' ' HB2' ' A' ' 20' ' ' ALA . . . -62.13 -49.15 77.04 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.488 178.097 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' HG2' ' HE3' ' A' ' 31' ' ' LYS . 39.1 tt0 -57.57 -44.86 85.64 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 179.342 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -64.45 -43.57 93.84 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.344 179.493 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.465 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 96.5 t -60.35 -40.53 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.041 179.167 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.519 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 43.7 t -60.62 -43.35 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 178.514 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.54 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 28.2 mmtp -47.25 -51.63 18.31 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.271 0.558 . . . . 0.0 109.801 179.059 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.409 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 3.6 tp-100 -56.58 -36.8 69.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.033 179.629 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.554 ' CD1' ' HB3' ' B' ' 12' ' ' LEU . 43.8 t80 -52.68 -66.75 0.33 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.952 179.301 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.449 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 31.2 m-85 -66.87 -38.66 86.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.896 179.412 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.442 ' ND2' ' CG2' ' B' ' 39' ' ' VAL . 28.1 t-20 -52.78 -37.83 60.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.542 0.687 . . . . 0.0 109.654 178.297 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -94.21 -26.43 16.66 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.757 -1.111 . . . . 0.0 112.718 -179.552 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.471 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.0 m-20 -78.64 -41.8 30.46 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.149 0.499 . . . . 0.0 110.144 179.477 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.81 -115.46 0.0 OUTLIER Glycine 0 CA--C 1.521 0.418 0 CA-C-N 114.556 -1.202 . . . . 0.0 115.758 179.712 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.439 ' CG2' ' ND2' ' B' ' 35' ' ' ASN . 86.3 t -84.71 -55.42 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -175.855 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -89.66 26.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -176.515 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.51 161.75 52.4 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 119.658 -1.258 . . . . 0.0 111.705 178.886 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -88.06 95.92 10.32 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 117.186 0.493 . . . . 0.0 110.38 179.717 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.537 ' CH2' ' HD3' ' B' ' 31' ' ' LYS . 6.9 m0 -99.04 118.85 36.74 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.368 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.5 p -110.94 138.57 47.18 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 177.627 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 8.4 t80 -110.23 144.33 39.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.013 0.435 . . . . 0.0 111.61 -178.672 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.31 81.9 1.94 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.533 179.504 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 52.1 m-20 -45.3 -35.02 3.21 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.53 -179.774 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.01 -33.15 17.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.236 -179.14 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.5 p -126.92 14.51 7.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.414 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.463 ' CE ' ' CE2' ' B' ' 3' ' ' TYR . 4.3 mmmm 50.93 36.42 14.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.542 179.748 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.457 ' CG2' HG13 ' B' ' 6' ' ' ILE . 95.6 m -129.37 143.18 50.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.207 0.527 . . . . 0.0 111.997 -178.81 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.507 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.5 m-85 -109.81 149.62 29.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.202 179.453 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 4.3 p -121.93 127.57 50.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.987 0.422 . . . . 0.0 111.145 179.251 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.6 t -105.69 106.57 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.314 179.342 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.682 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 32.7 m -99.69 115.47 29.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.469 -179.307 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.601 -179.867 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.405 ' HG3' ' CE1' ' B' ' 3' ' ' TYR . 11.2 tpt . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.677 0.275 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -111.48 146.78 36.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.975 0.417 . . . . 0.0 111.255 -179.633 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.463 ' CE2' ' CE ' ' A' ' 50' ' ' LYS . 10.1 m-85 -132.3 151.67 51.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.29 179.629 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 51' ' ' THR . 87.8 tttt -109.7 109.96 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 111.366 -179.701 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.488 ' HB ' HG23 ' B' ' 16' ' ' THR . 69.9 t -94.89 136.0 27.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.172 179.292 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.457 HG13 ' CG2' ' A' ' 51' ' ' THR . 78.2 mt -114.87 135.34 55.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.034 -179.167 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 13.9 mt -113.18 104.96 12.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.627 -179.379 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.682 ' O ' ' HA ' ' A' ' 55' ' ' THR . 6.1 m120 -109.03 107.82 18.3 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.555 -179.67 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.51 -166.14 15.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.296 179.389 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -75.6 -55.58 5.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.939 0.4 . . . . 0.0 110.749 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.465 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 15.6 p -110.07 8.88 24.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.711 -179.035 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.554 ' HB3' ' CD1' ' A' ' 33' ' ' PHE . 26.9 tp -140.2 138.34 35.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.115 0.483 . . . . 0.0 111.639 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -145.73 148.14 32.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.068 179.077 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -176.22 -173.31 41.77 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 119.81 -1.186 . . . . 0.0 113.775 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 51.4 mp0 -140.12 137.66 34.66 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.842 0.353 . . . . 0.0 110.317 179.755 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.488 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -138.8 169.03 18.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.45 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 49.5 p -143.45 120.12 11.14 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.705 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.485 ' CA ' HD13 ' A' ' 12' ' ' LEU . 15.1 t -108.28 142.82 38.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.477 178.528 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -104.94 115.96 31.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.485 0.183 . . . . 0.0 110.566 179.853 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' B' ' 26' ' ' ALA . . . -149.14 154.9 39.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.245 0.545 . . . . 0.0 112.041 -179.563 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 24.0 t -50.61 -24.37 2.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.162 -0.926 . . . . 0.0 112.153 -178.605 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -158.08 170.74 21.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.912 0.387 . . . . 0.0 111.437 179.609 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.34 -41.04 88.24 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.472 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.71 -55.5 19.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.907 179.277 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.9 p -53.55 -42.17 67.22 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.216 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.424 ' HA ' ' HB2' ' B' ' 20' ' ' ALA . . . -61.92 -49.3 76.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.503 178.065 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.445 ' HG2' ' HE3' ' B' ' 31' ' ' LYS . 39.1 tt0 -57.47 -44.99 85.3 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.61 179.43 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -64.39 -43.57 94.01 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.36 179.492 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.463 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 96.1 t -60.41 -40.48 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.944 179.144 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.516 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 43.9 t -60.69 -43.34 94.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 178.57 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.537 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 28.2 mmtp -47.25 -51.6 18.4 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.287 0.565 . . . . 0.0 109.849 179.008 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . 0.407 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 3.6 tp-100 -56.59 -36.81 69.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.01 179.652 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 12' ' ' LEU . 43.7 t80 -52.68 -66.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.004 179.287 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.448 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 31.2 m-85 -66.82 -38.88 87.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.845 179.436 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.439 ' ND2' ' CG2' ' A' ' 39' ' ' VAL . 28.2 t-20 -52.7 -37.78 59.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.423 0.63 . . . . 0.0 109.649 178.306 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -94.25 -26.42 16.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.868 -1.06 . . . . 0.0 112.627 -179.511 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.468 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 85.9 m-20 -78.68 -41.9 29.95 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.049 0.452 . . . . 0.0 110.048 179.532 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.85 -115.52 0.0 OUTLIER Glycine 0 CA--C 1.521 0.452 0 CA-C-N 114.605 -1.18 . . . . 0.0 115.688 179.78 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.442 ' CG2' ' ND2' ' A' ' 35' ' ' ASN . 86.0 t -84.63 -55.4 6.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 115.78 1.77 . . . . 0.0 115.78 -175.832 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -89.56 26.21 1.78 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -176.605 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.65 161.68 52.59 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 119.715 -1.231 . . . . 0.0 111.582 179.049 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -88.05 96.03 10.36 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 117.063 0.431 . . . . 0.0 110.384 179.75 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.54 ' CH2' ' HD3' ' A' ' 31' ' ' LYS . 6.9 m0 -99.04 118.95 36.97 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -178.398 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 71.5 p -110.93 138.49 47.27 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 177.654 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.503 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 8.4 t80 -110.15 144.33 38.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.873 0.368 . . . . 0.0 111.694 -178.704 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -123.29 81.81 1.93 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.584 179.502 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.43 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 52.7 m-20 -45.41 -34.95 3.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.461 -179.641 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.0 -33.18 17.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.263 -179.182 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -126.85 14.43 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.384 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.462 ' CE ' ' CE2' ' A' ' 3' ' ' TYR . 4.3 mmmm 51.03 36.3 14.94 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.852 0.358 . . . . 0.0 110.597 179.754 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.457 ' CG2' HG13 ' A' ' 6' ' ' ILE . 95.5 m -129.29 143.11 50.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.103 0.478 . . . . 0.0 112.107 -178.77 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.503 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 2.4 m-85 -109.81 149.79 29.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.159 179.449 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 4.3 p -121.95 127.62 50.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.918 0.39 . . . . 0.0 111.158 179.272 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 81.7 t -105.71 106.44 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.262 179.442 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.676 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 32.5 m -99.63 115.46 29.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.46 -179.317 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.668 -179.925 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -121.78 146.13 47.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.973 0.416 . . . . 0.0 111.409 -179.648 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.457 ' CE ' HG23 ' A' ' 17' ' ' THR . 2.6 tpmt? -96.43 103.8 15.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.129 179.566 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.457 ' HB ' HG21 ' A' ' 16' ' ' THR . 60.1 t -95.15 113.84 30.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.155 0.503 . . . . 0.0 111.08 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.418 HG13 ' CG2' ' B' ' 51' ' ' THR . 74.7 mt -95.1 119.22 42.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.001 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.456 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.9 mt -99.24 84.96 3.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.778 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.641 ' O ' ' HA ' ' B' ' 55' ' ' THR . 32.6 t-20 -93.95 108.97 20.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.424 -178.001 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.491 ' HA2' ' HG2' ' B' ' 56' ' ' GLU . . . -117.52 -169.39 14.87 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.303 -0.951 . . . . 0.0 112.605 179.606 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -82.69 -58.05 3.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.156 0.503 . . . . 0.0 110.328 179.779 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.419 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 3.2 p -100.46 -0.49 37.9 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.662 179.653 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.476 HD13 ' CA ' ' B' ' 18' ' ' THR . 21.1 tp -136.39 136.26 39.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.032 -179.545 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -145.1 145.23 31.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.27 179.792 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.528 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 177.78 -165.26 34.77 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 119.962 -1.113 . . . . 0.0 113.552 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -149.59 142.17 24.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.986 0.422 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.528 ' HA ' ' HA3' ' B' ' 14' ' ' GLY . 0.0 OUTLIER -139.14 168.86 18.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.726 179.827 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.457 HG23 ' CE ' ' A' ' 4' ' ' LYS . 69.6 p -141.36 123.86 15.86 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.763 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.484 ' CA ' HD13 ' B' ' 12' ' ' LEU . 13.3 t -111.46 144.61 40.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.667 178.753 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -106.21 118.26 36.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.581 0.229 . . . . 0.0 110.385 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.46 ' HB3' ' HA ' ' A' ' 26' ' ' ALA . . . -149.1 151.9 35.23 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.303 0.573 . . . . 0.0 112.182 -179.379 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.78 -28.24 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.779 -179.075 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.451 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 5.1 p-10 -153.79 171.65 18.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 0.0 111.503 179.55 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.83 87.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 -179.663 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.47 -55.69 22.09 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.354 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.451 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 25.2 p -51.73 -44.54 63.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.185 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.46 ' HA ' ' HB3' ' A' ' 20' ' ' ALA . . . -60.61 -51.41 69.52 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 178.127 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -54.26 -45.43 72.4 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.152 178.933 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -64.88 -46.24 82.62 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.716 179.672 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.417 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 87.4 t -57.13 -39.86 69.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.998 179.298 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.483 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 27.1 t -61.61 -43.82 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.638 178.848 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.518 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 1.0 OUTLIER -49.19 -49.03 44.59 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.153 0.501 . . . . 0.0 110.012 179.497 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.51 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -57.22 -36.43 70.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.721 179.005 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.51 ' N ' ' NE2' ' A' ' 32' ' ' GLN . 41.7 t80 -55.0 -64.99 0.66 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.06 179.428 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.475 ' CE1' ' CE1' ' B' ' 34' ' ' PHE . 24.8 m-85 -66.65 -38.88 87.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.578 179.416 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -51.25 -38.17 51.15 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.508 0.67 . . . . 0.0 109.838 178.529 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.24 -22.39 18.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.122 -179.879 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.459 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.8 m-20 -83.65 -46.82 11.91 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.568 179.667 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -11.41 -112.04 0.0 OUTLIER Glycine 0 CA--C 1.521 0.429 0 N-CA-C 115.605 1.002 . . . . 0.0 115.605 -179.697 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.421 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 25.0 t -108.44 3.86 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -176.566 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.66 10.88 7.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.536 0.607 . . . . 0.0 111.931 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.48 172.32 53.53 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.568 -0.825 . . . . 0.0 113.345 -179.349 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -103.63 110.0 21.9 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.847 0.356 . . . . 0.0 110.374 179.71 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.519 ' CH2' ' HD2' ' B' ' 31' ' ' LYS . 5.9 m0 -105.53 123.75 48.42 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.425 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.8 p -108.73 138.75 44.54 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.437 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 21.2 t80 -110.48 144.32 39.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.071 0.462 . . . . 0.0 112.216 -178.561 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -123.27 81.82 1.93 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.364 179.39 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.95 -36.56 12.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.837 -179.301 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.53 -31.97 11.38 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -178.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.5 p -128.2 14.87 6.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.587 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm 48.16 34.85 4.69 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.958 0.408 . . . . 0.0 110.457 -179.469 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.419 ' CG2' HG13 ' B' ' 6' ' ' ILE . 92.7 m -117.78 140.25 49.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.579 -179.095 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.437 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.5 m-85 -108.42 140.97 40.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.173 179.412 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -117.83 122.84 44.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.103 0.478 . . . . 0.0 111.325 179.324 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.0 t -102.95 107.16 21.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.879 179.308 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.642 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 25.2 m -102.72 117.66 35.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.422 -179.15 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.493 ' HG2' ' HA2' ' B' ' 9' ' ' GLY . 21.9 pt-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 91.1 mmm . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.949 0.404 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -106.5 143.04 35.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.018 179.145 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -121.78 146.25 47.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.924 0.392 . . . . 0.0 111.455 -179.712 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.459 ' CE ' HG23 ' B' ' 17' ' ' THR . 2.6 tpmt? -96.36 103.72 15.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.196 179.619 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.449 ' HB ' HG21 ' B' ' 16' ' ' THR . 59.9 t -95.22 113.94 30.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.154 0.502 . . . . 0.0 111.062 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.419 HG13 ' CG2' ' A' ' 51' ' ' THR . 74.4 mt -95.19 119.15 42.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.944 179.92 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.0 mt -99.28 84.88 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.564 179.79 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.642 ' O ' ' HA ' ' A' ' 55' ' ' THR . 32.7 t-20 -94.0 109.03 20.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.369 -177.92 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.493 ' HA2' ' HG2' ' A' ' 56' ' ' GLU . . . -117.57 -169.32 14.83 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.266 -0.969 . . . . 0.0 112.569 179.623 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -82.85 -58.0 3.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.022 0.439 . . . . 0.0 110.256 179.921 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.417 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 3.2 p -100.42 -0.57 37.85 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.631 179.583 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.484 HD13 ' CA ' ' A' ' 18' ' ' THR . 21.0 tp -136.33 136.28 39.59 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.657 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -145.1 145.31 31.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.279 179.81 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.528 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 177.72 -165.25 34.78 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.841 -1.171 . . . . 0.0 113.477 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -149.65 142.2 24.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.995 0.426 . . . . 0.0 110.941 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.528 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -139.05 168.89 18.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.756 179.83 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.459 HG23 ' CE ' ' B' ' 4' ' ' LYS . 69.4 p -141.41 123.95 15.89 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -178.845 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.476 ' CA ' HD13 ' A' ' 12' ' ' LEU . 13.3 t -111.58 144.63 40.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.641 178.83 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -106.11 118.25 36.14 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.465 ' HB3' ' HA ' ' B' ' 26' ' ' ALA . . . -149.21 151.9 35.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.383 0.611 . . . . 0.0 112.141 -179.37 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -50.78 -28.33 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.746 -178.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.449 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 5.2 p-10 -153.71 171.6 18.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.881 0.372 . . . . 0.0 111.496 179.582 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.89 87.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.157 -179.727 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.44 -55.61 22.86 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.296 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.449 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 25.5 p -51.75 -44.56 63.36 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.156 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.465 ' HA ' ' HB3' ' B' ' 20' ' ' ALA . . . -60.61 -51.37 69.71 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 178.096 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -54.33 -45.35 72.63 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.119 179.018 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.406 ' HA ' ' HG2' ' B' ' 31' ' ' LYS . 46.5 mmtm -64.86 -46.28 82.51 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.728 179.69 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.419 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 86.0 t -57.16 -39.8 69.3 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.044 179.286 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.489 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 27.5 t -61.6 -43.93 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.551 178.83 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.519 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -49.17 -48.93 44.62 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.096 0.474 . . . . 0.0 110.011 179.544 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . 0.512 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -57.31 -36.46 71.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.709 178.993 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.512 ' N ' ' NE2' ' B' ' 32' ' ' GLN . 41.3 t80 -54.97 -64.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.094 179.459 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.475 ' CE1' ' CE1' ' A' ' 34' ' ' PHE . 24.8 m-85 -66.77 -38.8 87.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.521 179.398 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -51.42 -38.13 52.0 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.452 0.644 . . . . 0.0 109.796 178.608 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.06 -22.56 18.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.901 -1.045 . . . . 0.0 112.243 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.459 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.8 m-20 -83.65 -46.72 12.01 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.475 179.777 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -11.41 -112.08 0.0 OUTLIER Glycine 0 CA--C 1.522 0.472 0 N-CA-C 115.526 0.97 . . . . 0.0 115.526 -179.733 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 25.3 t -108.55 3.96 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -176.531 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.68 10.95 7.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.763 -0.586 . . . . 0.0 111.889 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.5 172.38 53.55 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.621 -0.799 . . . . 0.0 113.281 -179.354 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -103.71 109.86 21.73 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.796 0.331 . . . . 0.0 110.384 179.7 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.518 ' CH2' ' HD2' ' A' ' 31' ' ' LYS . 5.9 m0 -105.5 123.82 48.53 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.373 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 56.5 p -108.79 138.8 44.55 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.435 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 21.3 t80 -110.5 144.28 39.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.161 0.505 . . . . 0.0 112.146 -178.536 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -123.29 81.85 1.93 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.331 179.324 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.87 -36.69 12.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.818 -179.36 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.44 -31.92 10.8 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 67.4 p -128.32 14.87 6.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.523 179.915 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm 48.21 34.8 4.72 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.008 0.433 . . . . 0.0 110.451 -179.501 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.418 ' CG2' HG13 ' A' ' 6' ' ' ILE . 92.5 m -117.69 140.28 49.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.626 -179.073 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.435 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 2.5 m-85 -108.5 140.94 41.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.14 179.434 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -117.83 122.89 44.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.172 0.51 . . . . 0.0 111.209 179.373 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.0 t -102.92 107.15 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.903 179.224 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.641 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 25.6 m -102.84 117.8 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.267 -179.081 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.491 ' HG2' ' HA2' ' A' ' 9' ' ' GLY . 21.9 pt-20 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.793 -179.879 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.424 ' NE2' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.791 0.329 . . . . 0.0 110.671 . . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.444 ' CE2' ' CE ' ' B' ' 50' ' ' LYS . 2.2 m-85 -129.58 148.03 51.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.804 -179.824 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.466 ' HB3' ' NZ ' ' A' ' 4' ' ' LYS . 7.2 ttpm? -103.77 108.89 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 179.795 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 16' ' ' THR . 61.5 t -94.77 130.59 43.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.094 0.474 . . . . 0.0 111.2 -179.711 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.422 HG13 ' CG2' ' B' ' 51' ' ' THR . 74.4 mt -105.53 121.53 57.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.643 179.714 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.415 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.3 mt -99.85 91.9 5.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.874 -179.906 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.629 ' O ' ' HA ' ' B' ' 55' ' ' THR . 32.5 t-20 -100.08 108.31 20.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.477 . . . . 0.0 112.263 -178.086 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.434 ' HA2' ' HG3' ' B' ' 56' ' ' GLU . . . -115.72 -169.56 15.71 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.514 179.63 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.448 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.4 mtmp? -75.05 -54.87 6.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.659 0.266 . . . . 0.0 111.179 -179.82 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.457 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 7.0 p -111.31 10.57 21.64 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.246 -179.235 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.533 ' HB3' ' CD1' ' B' ' 33' ' ' PHE . 28.9 tp -138.97 138.93 37.73 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.122 0.487 . . . . 0.0 111.419 -179.39 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.433 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -144.61 144.6 31.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.2 179.705 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -176.55 -172.83 41.61 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.14 -1.028 . . . . 0.0 113.176 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -143.21 137.14 28.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.908 0.385 . . . . 0.0 110.462 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.464 ' HA ' ' HA3' ' B' ' 14' ' ' GLY . 0.1 OUTLIER -134.84 167.34 21.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.101 -179.663 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.6 p -143.28 119.42 10.76 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.861 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.51 ' CA ' HD13 ' B' ' 12' ' ' LEU . 13.2 t -108.03 145.02 34.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.368 178.619 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -107.33 114.14 27.98 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.466 179.594 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.95 152.54 40.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.267 0.556 . . . . 0.0 112.02 -179.332 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.5 t -50.98 -25.79 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.971 -178.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -158.31 172.96 17.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.973 0.416 . . . . 0.0 111.487 179.719 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.86 86.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.115 -179.777 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.64 -53.86 44.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.216 179.517 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.8 p -55.35 -43.22 74.81 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.383 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.93 -51.98 66.98 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.033 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.63 -47.5 58.36 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.454 179.103 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -62.8 -45.84 90.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.953 179.237 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.454 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 94.4 t -53.22 -43.37 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.076 179.089 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.573 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 48.4 t -63.78 -46.43 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.706 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 53.0 mtpt -50.85 -47.36 60.35 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 120.762 0.315 . . . . 0.0 110.41 179.078 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -60.93 -38.1 84.62 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.887 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.573 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 56.2 t80 -53.59 -62.67 1.5 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.183 179.268 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -68.44 -38.8 81.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.599 179.337 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 32.5 t-20 -50.54 -38.75 46.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.457 0.646 . . . . 0.0 109.727 178.604 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -94.44 -23.11 17.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.808 -1.087 . . . . 0.0 112.317 -179.822 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.513 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.9 m-20 -82.09 -46.71 13.51 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.332 179.544 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -8.56 -114.24 0.0 OUTLIER Glycine 0 C--N 1.331 0.291 0 N-CA-C 115.567 0.987 . . . . 0.0 115.567 179.905 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 21.7 t -111.17 5.07 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -176.543 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -125.25 10.5 8.05 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.741 -0.599 . . . . 0.0 111.928 -179.83 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.45 173.42 54.83 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.876 -179.569 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 47.8 mp0 -95.9 101.67 13.38 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.711 0.291 . . . . 0.0 110.298 179.562 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.44 ' CZ3' HG12 ' B' ' 30' ' ' VAL . 9.6 m95 -96.12 115.88 28.12 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -178.367 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.2 p -109.58 138.21 46.27 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.077 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 7.0 t80 -112.98 142.85 45.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.724 0.297 . . . . 0.0 111.38 -178.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -123.3 84.11 2.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.709 179.684 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 12.5 m-20 -48.91 -35.71 15.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 0.0 111.35 -179.823 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.36 -35.46 28.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.084 -179.428 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.0 p -122.31 13.45 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.466 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' CE ' ' CE2' ' B' ' 3' ' ' TYR . 9.3 mmmm 49.9 34.22 7.58 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.816 0.341 . . . . 0.0 110.541 179.916 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 93.4 m -125.86 144.25 50.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.118 0.485 . . . . 0.0 112.025 -178.574 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.9 m-85 -109.51 139.45 44.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.211 179.31 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -116.46 123.08 46.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.177 0.513 . . . . 0.0 111.289 179.272 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.5 t -107.15 112.58 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.043 179.33 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.631 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 19.1 m -101.88 112.23 24.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.904 -179.456 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HG3' ' HA2' ' B' ' 9' ' ' GLY . 1.7 pp20? . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.816 -179.577 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.446 ' HE1' ' CZ ' ' B' ' 3' ' ' TYR . 36.5 ttp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.707 0.289 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.422 ' C ' ' NE2' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -107.94 144.62 34.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.679 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.446 ' CZ ' ' HE1' ' B' ' 1' ' ' MET . 2.2 m-85 -129.66 148.01 51.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.849 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.466 ' NZ ' ' HB3' ' B' ' 4' ' ' LYS . 7.1 ttpm? -103.66 108.77 20.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.645 179.841 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.411 ' O ' HG22 ' B' ' 16' ' ' THR . 60.9 t -94.83 130.63 43.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.092 0.472 . . . . 0.0 111.266 -179.738 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.42 HG13 ' CG2' ' A' ' 51' ' ' THR . 74.8 mt -105.48 121.47 57.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.654 179.757 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.3 mt -99.85 91.96 5.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.84 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.631 ' O ' ' HA ' ' A' ' 55' ' ' THR . 32.5 t-20 -100.03 108.25 20.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.297 -178.142 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.424 ' HA2' ' HG3' ' A' ' 56' ' ' GLU . . . -115.8 -169.59 15.68 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.302 -0.951 . . . . 0.0 112.434 179.692 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.451 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.4 mtmp? -74.94 -54.97 6.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.79 0.329 . . . . 0.0 111.205 -179.762 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.454 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 7.1 p -111.17 10.47 21.86 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.243 -179.226 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.536 ' HB3' ' CD1' ' A' ' 33' ' ' PHE . 29.2 tp -139.0 138.81 37.58 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.104 0.478 . . . . 0.0 111.436 -179.26 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' B' ' 13' ' ' LYS . 0.0 OUTLIER -144.56 144.65 31.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.213 179.694 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -176.56 -172.85 41.64 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.164 -1.017 . . . . 0.0 113.156 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -143.24 137.08 28.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.976 0.417 . . . . 0.0 110.496 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.468 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -134.81 167.48 20.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.067 -179.705 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 52.1 p -143.37 119.5 10.76 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -178.892 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.5 ' CA ' HD13 ' A' ' 12' ' ' LEU . 13.4 t -107.99 145.01 34.49 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.406 178.55 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -107.47 114.28 28.18 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 179.662 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.01 152.51 40.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.294 0.569 . . . . 0.0 112.011 -179.378 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.1 t -50.92 -25.89 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.936 -179.006 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -158.32 172.98 17.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.923 0.392 . . . . 0.0 111.415 179.761 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.49 -41.79 86.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.079 -179.721 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.83 -53.8 45.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.074 179.642 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.9 p -55.36 -43.26 74.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.388 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.9 -52.03 66.75 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.029 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -50.46 -47.67 56.83 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.407 179.054 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -62.82 -45.78 91.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.047 179.274 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.457 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 94.1 t -53.2 -43.42 49.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.075 179.01 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.573 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 48.1 t -63.77 -46.34 94.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.321 178.676 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 53.0 mtpt -50.82 -47.48 60.03 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.378 178.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -60.82 -38.19 84.58 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.91 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.573 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 55.7 t80 -53.43 -62.67 1.5 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.279 179.217 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -68.48 -38.77 81.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.656 179.272 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' B' ' 31' ' ' LYS . 32.6 t-20 -50.53 -38.77 46.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.51 0.672 . . . . 0.0 109.746 178.536 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -94.36 -23.12 17.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.856 -1.066 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.515 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.8 m-20 -82.0 -46.8 13.47 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.317 179.513 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -8.52 -114.25 0.0 OUTLIER Glycine 0 CA--C 1.52 0.395 0 N-CA-C 115.541 0.976 . . . . 0.0 115.541 179.935 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.418 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 21.7 t -111.24 5.05 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -176.384 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -125.19 10.47 8.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.734 -0.604 . . . . 0.0 111.921 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.42 173.45 54.85 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.0 -179.65 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 47.7 mp0 -95.93 101.72 13.43 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.759 0.314 . . . . 0.0 110.229 179.563 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.438 ' CZ3' HG12 ' A' ' 30' ' ' VAL . 9.7 m95 -96.05 115.86 28.07 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -178.455 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 73.6 p -109.58 138.26 46.21 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.08 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 6.9 t80 -113.08 142.92 45.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 111.331 -178.933 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -123.37 84.17 2.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.599 179.762 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.415 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 12.6 m-20 -49.05 -35.64 16.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.297 -179.846 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.33 -35.6 28.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.042 -179.451 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 76.3 p -122.24 13.43 10.37 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.43 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.444 ' CE ' ' CE2' ' A' ' 3' ' ' TYR . 9.3 mmmm 49.91 34.24 7.64 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.689 0.281 . . . . 0.0 110.493 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 93.3 m -125.81 144.29 50.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.198 0.523 . . . . 0.0 112.096 -178.666 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 2.9 m-85 -109.54 139.47 44.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.176 179.306 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -116.45 123.17 46.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.12 0.486 . . . . 0.0 111.189 179.283 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.08 112.49 40.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.141 179.217 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.629 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 19.0 m -101.79 112.24 24.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.99 -179.502 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.434 ' HG3' ' HA2' ' A' ' 9' ' ' GLY . 1.7 pp20? . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.772 -179.549 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 N--CA 1.456 -0.151 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.54 ' CD2' ' HB3' ' B' ' 50' ' ' LYS . 49.0 m-85 -127.15 144.83 50.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.843 0.354 . . . . 0.0 111.255 -179.695 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' B' ' 51' ' ' THR . 5.1 tppp? -99.08 108.61 21.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.44 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.445 ' O ' HG21 ' A' ' 16' ' ' THR . 47.5 t -94.61 126.95 46.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.051 0.453 . . . . 0.0 110.738 179.781 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.1 mt -104.44 119.41 53.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.93 -179.673 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.467 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.0 mt -98.69 88.04 3.95 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.483 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.691 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.4 t-20 -94.09 102.76 14.83 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -177.588 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.22 151.89 17.43 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.76 178.743 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -51.03 -52.53 42.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.789 0.328 . . . . 0.0 111.629 -179.532 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.443 ' HB ' HG12 ' B' ' 29' ' ' VAL . 19.7 p -99.18 -6.4 28.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.619 -179.103 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.513 HD12 ' CA ' ' B' ' 18' ' ' THR . 14.4 tp -134.04 135.78 43.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.921 -179.707 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -144.92 143.2 30.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.604 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.71 -168.71 38.35 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.258 -0.972 . . . . 0.0 113.217 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -147.07 142.11 27.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.768 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.504 ' HA ' ' HA3' ' B' ' 14' ' ' GLY . 0.1 OUTLIER -140.1 168.95 18.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.064 -179.72 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.415 ' CG2' ' CE ' ' A' ' 4' ' ' LYS . 73.2 p -143.68 121.09 11.66 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -179.041 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.517 ' CA ' HD12 ' B' ' 12' ' ' LEU . 11.7 t -106.07 144.7 32.41 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.451 178.303 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -103.92 112.33 25.26 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.428 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.35 149.4 37.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.198 0.523 . . . . 0.0 111.839 -179.307 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.7 t -50.94 -25.63 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.93 -179.068 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -156.09 178.14 10.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 111.402 179.683 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.07 99.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.588 -179.574 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.67 -54.08 44.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.452 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.2 p -50.49 -45.39 56.35 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.233 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.65 -52.5 65.26 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.547 178.266 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 41.2 tt0 -54.85 -46.7 74.71 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 179.467 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.462 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 4.0 mmmp? -60.89 -45.71 93.49 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.07 179.316 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.44 HG12 ' HB ' ' B' ' 11' ' ' THR . 90.3 t -57.97 -39.38 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.923 179.01 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.471 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 60.2 t -66.6 -49.31 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 177.969 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.564 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 33.4 mmtm -46.48 -52.27 13.56 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-O 121.221 0.534 . . . . 0.0 109.621 178.478 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -60.87 -37.89 83.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.032 179.531 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.471 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 39.8 t80 -53.09 -64.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.238 179.357 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -68.48 -39.53 81.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.866 179.482 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.417 ' ND2' ' CG2' ' B' ' 39' ' ' VAL . 27.5 t-20 -52.06 -37.88 55.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.517 0.675 . . . . 0.0 109.538 178.399 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -94.12 -26.4 16.73 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 114.785 -1.098 . . . . 0.0 112.573 -179.484 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.443 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.1 m-20 -77.48 -40.51 42.77 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.005 0.431 . . . . 0.0 109.953 179.393 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -8.07 -117.68 0.0 OUTLIER Glycine 0 CA--C 1.521 0.43 0 CA-C-N 114.578 -1.192 . . . . 0.0 115.936 -179.838 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.412 ' CG2' ' ND2' ' B' ' 35' ' ' ASN . 83.0 t -81.86 -55.62 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -175.937 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.36 26.06 1.77 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -177.032 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.19 144.67 48.1 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 119.985 -1.102 . . . . 0.0 112.46 179.405 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -79.34 94.72 5.54 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.499 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.556 ' CH2' ' HD3' ' B' ' 31' ' ' LYS . 6.4 m0 -107.56 132.65 53.03 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.639 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.419 ' OG1' ' OG1' ' A' ' 53' ' ' THR . 68.9 p -112.47 141.82 45.76 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.239 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.5 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 20.7 t80 -111.87 145.5 39.39 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -178.231 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -123.51 81.86 1.94 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.979 178.908 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.01 -36.9 8.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.962 -179.187 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.14 -33.94 20.59 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.189 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.6 p -128.6 13.4 6.46 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.705 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.539 ' HB3' ' CD2' ' B' ' 3' ' ' TYR . 14.0 mptt 52.48 28.65 6.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.812 0.339 . . . . 0.0 110.615 -179.14 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 88.5 m -106.56 134.66 49.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.12 0.486 . . . . 0.0 111.904 -178.826 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 1.9 m-85 -111.41 142.07 44.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.469 178.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.419 ' OG1' ' OG1' ' A' ' 44' ' ' THR . 3.2 p -119.54 121.39 39.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.044 0.449 . . . . 0.0 111.548 179.907 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.6 t -101.65 107.3 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.36 179.477 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.689 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 36.3 m -103.65 119.49 39.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.158 -179.481 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.471 ' HG2' ' HA2' ' B' ' 9' ' ' GLY . 16.8 pt-20 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.943 -179.601 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.999 0.428 . . . . 0.0 111.335 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -103.96 142.04 35.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.032 179.186 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.539 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 49.3 m-85 -127.2 144.81 50.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.927 0.394 . . . . 0.0 111.143 -179.663 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 51' ' ' THR . 5.1 tppp? -99.07 108.56 21.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.529 179.832 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.444 ' O ' HG21 ' B' ' 16' ' ' THR . 47.6 t -94.54 126.96 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.079 0.466 . . . . 0.0 110.691 179.829 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.424 HD11 HG22 ' B' ' 6' ' ' ILE . 68.4 mt -104.48 119.46 53.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.905 -179.716 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.0 mt -98.72 87.98 3.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.473 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.689 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.6 t-20 -94.01 102.81 14.9 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.612 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.29 151.86 17.42 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.122 -0.561 . . . . 0.0 111.732 178.755 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -50.9 -52.65 39.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 111.611 -179.484 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.44 ' HB ' HG12 ' A' ' 29' ' ' VAL . 19.5 p -99.16 -6.4 28.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.576 -179.021 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.517 HD12 ' CA ' ' A' ' 18' ' ' THR . 14.5 tp -134.02 135.78 43.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.865 -179.68 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -144.94 143.23 30.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.654 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.504 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.69 -168.66 38.27 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.279 -0.962 . . . . 0.0 113.216 -179.892 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -147.12 142.23 27.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.934 0.397 . . . . 0.0 110.724 179.853 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.506 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -140.16 168.85 18.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.098 -179.678 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.418 ' CG2' ' CE ' ' B' ' 4' ' ' LYS . 73.3 p -143.59 120.99 11.65 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -179.058 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.513 ' CA ' HD12 ' A' ' 12' ' ' LEU . 11.7 t -106.04 144.63 32.48 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.491 178.227 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -103.82 112.35 25.27 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.392 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.3 149.41 37.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.154 0.502 . . . . 0.0 111.92 -179.219 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 t -51.0 -25.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.814 -179.007 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -156.04 178.21 10.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.857 0.36 . . . . 0.0 111.335 179.681 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.47 -43.11 99.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.583 -179.584 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.76 -53.96 46.3 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.582 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 47.7 p -50.58 -45.22 57.1 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.241 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.8 -52.36 65.77 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.641 178.168 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 41.3 tt0 -54.83 -46.8 74.64 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.543 179.356 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.454 ' NZ ' ' HB3' ' B' ' 28' ' ' LYS . 4.0 mmmp? -60.82 -45.87 92.76 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.069 179.36 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.443 HG12 ' HB ' ' A' ' 11' ' ' THR . 91.6 t -57.9 -39.38 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.912 179.021 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.466 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 59.8 t -66.63 -49.32 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.556 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 33.5 mmtm -46.29 -52.45 12.62 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.338 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -60.75 -37.97 83.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.035 179.566 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 7' ' ' LEU . 39.8 t80 -53.09 -64.1 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.207 179.361 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -68.45 -39.57 81.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.758 179.578 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.412 ' ND2' ' CG2' ' A' ' 39' ' ' VAL . 27.8 t-20 -51.92 -37.96 54.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.517 0.675 . . . . 0.0 109.516 178.441 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -94.14 -26.32 16.75 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 114.775 -1.102 . . . . 0.0 112.634 -179.433 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.443 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.9 m-20 -77.5 -40.49 42.72 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.014 179.287 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -8.14 -117.67 0.0 OUTLIER Glycine 0 C--N 1.332 0.352 0 CA-C-N 114.607 -1.179 . . . . 0.0 115.978 -179.901 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.417 ' CG2' ' ND2' ' A' ' 35' ' ' ASN . 83.3 t -81.83 -55.68 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -175.924 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.23 25.95 1.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -177.099 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.19 144.66 48.09 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.013 -1.089 . . . . 0.0 112.333 179.538 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -79.33 94.7 5.53 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.435 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.564 ' CH2' ' HD3' ' A' ' 31' ' ' LYS . 6.4 m0 -107.57 132.57 53.13 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -178.608 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.415 ' OG1' ' OG1' ' B' ' 53' ' ' THR . 69.0 p -112.28 141.82 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 177.234 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 20.6 t80 -111.87 145.49 39.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.234 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -123.55 81.93 1.95 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.006 178.805 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.02 -36.99 8.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.886 -179.206 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.11 -33.83 20.04 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.158 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.6 p -128.7 13.33 6.4 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.711 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.54 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 14.0 mptt 52.52 28.58 6.14 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.902 0.382 . . . . 0.0 110.651 -179.177 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.464 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 88.6 m -106.62 134.6 49.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.159 0.504 . . . . 0.0 111.964 -178.838 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 1.9 m-85 -111.3 142.03 44.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.412 179.097 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.415 ' OG1' ' OG1' ' B' ' 44' ' ' THR . 3.3 p -119.49 121.31 39.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.185 0.517 . . . . 0.0 111.646 179.772 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 69.3 t -101.53 107.24 21.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.382 179.468 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.691 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 34.8 m -103.48 119.37 38.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.258 -179.597 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.476 ' HG2' ' HA2' ' A' ' 9' ' ' GLY . 16.8 pt-20 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.955 -179.634 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' A' ' 17' ' ' THR . 87.2 m-85 -116.83 146.37 42.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.0 0.429 . . . . 0.0 111.395 -179.515 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.583 ' O ' ' HA ' ' B' ' 51' ' ' THR . 55.0 tptt -108.71 100.53 9.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.0 179.843 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' THR . 96.0 t -94.02 132.68 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.94 0.4 . . . . 0.0 110.952 -179.478 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.43 ' CG2' ' OD1' ' A' ' 8' ' ' ASN . 59.9 mt -112.05 133.11 58.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.501 -179.838 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.456 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 16.2 mt -111.81 93.64 4.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.656 -179.319 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.633 ' O ' ' HA ' ' B' ' 55' ' ' THR . 6.2 m120 -98.2 109.69 22.4 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.597 -179.462 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.37 -166.05 14.34 Favored Glycine 0 C--N 1.329 0.19 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.622 179.617 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.466 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.3 mtmp? -80.98 -55.9 4.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.885 0.374 . . . . 0.0 110.4 179.719 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.412 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 3.6 p -105.34 3.53 29.92 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.984 -179.501 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.466 HD13 ' OG1' ' B' ' 16' ' ' THR . 23.5 tp -139.6 138.73 36.43 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.179 0.514 . . . . 0.0 111.809 -179.21 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 2.1 mptp? -143.89 145.4 32.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.639 179.113 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.25 -172.29 42.5 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 119.722 -1.227 . . . . 0.0 113.558 -179.826 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.496 ' HB3' ' HE3' ' A' ' 4' ' ' LYS . 52.9 mp0 -141.03 151.1 43.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.356 -0.422 . . . . 0.0 110.185 179.768 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.47 ' OG1' HD13 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -151.12 168.4 24.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.968 -179.583 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 71.8 p -143.43 120.64 11.51 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -178.731 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.459 ' CA ' HD12 ' B' ' 12' ' ' LEU . 12.9 t -112.1 147.19 36.59 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.525 178.511 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -110.07 120.9 43.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.506 0.193 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.11 153.61 38.01 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.202 0.525 . . . . 0.0 112.048 -179.808 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 t -51.15 -25.8 4.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.771 -179.07 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.437 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 6.8 p-10 -157.42 174.35 15.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.964 0.411 . . . . 0.0 111.492 179.71 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.91 -42.8 90.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.198 -179.697 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.64 -56.6 18.11 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.325 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.437 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 26.6 p -50.58 -44.37 56.82 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 178.344 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.15 -51.97 67.31 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -51.65 -50.19 60.83 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.075 179.301 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -45.8 85.95 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.427 179.471 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.411 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 91.9 t -56.33 -40.54 67.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.552 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.516 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 97.2 t -66.59 -49.7 72.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 177.737 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HA ' ' CH2' ' B' ' 43' ' ' TRP . 95.4 mttt -46.77 -48.26 20.63 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.422 0.63 . . . . 0.0 110.274 178.358 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -59.42 -34.84 72.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.55 -179.896 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.516 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 35.7 t80 -54.9 -62.21 1.81 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.076 179.055 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -68.75 -40.76 79.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.766 179.579 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.412 ' ND2' ' CG2' ' B' ' 39' ' ' VAL . 31.0 t-20 -49.35 -38.89 29.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.601 0.715 . . . . 0.0 109.703 178.249 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -94.62 -24.84 17.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.742 -1.117 . . . . 0.0 112.795 -179.566 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.1 m-20 -76.37 -41.93 46.36 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.211 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.15 -120.11 0.0 OUTLIER Glycine 0 CA--C 1.521 0.426 0 CA-C-N 114.524 -1.216 . . . . 0.0 115.888 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.411 ' CG2' ' ND2' ' B' ' 35' ' ' ASN . 89.6 t -84.83 -55.33 7.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 -175.708 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -86.96 26.92 1.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -176.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.96 159.45 53.89 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 119.899 -1.143 . . . . 0.0 112.095 179.336 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -88.04 96.56 10.56 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.88 0.34 . . . . 0.0 110.217 179.32 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.435 ' CH2' ' HA ' ' B' ' 31' ' ' LYS . 7.2 m0 -100.29 121.33 41.31 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.157 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.2 p -105.67 135.0 47.87 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 177.665 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 14.1 t80 -106.71 142.04 37.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.96 0.41 . . . . 0.0 112.055 -178.548 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -123.57 81.23 1.88 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.372 179.074 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.48 -36.06 6.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.619 -179.52 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.01 -34.09 20.13 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -179.229 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.3 p -128.36 12.72 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.505 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm 54.09 30.68 12.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 110.334 -179.557 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.581 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 95.3 m -105.11 149.39 25.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.731 -178.918 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.507 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 26.0 m-85 -125.36 95.32 4.43 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 121.36 0.6 . . . . 0.0 111.886 179.537 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -75.42 126.45 31.04 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.302 179.313 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.7 t -112.24 111.54 36.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.978 179.345 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.631 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 26.4 m -100.5 116.24 31.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.914 0.387 . . . . 0.0 111.783 -178.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.312 -0.851 . . . . 0.0 111.315 179.909 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.432 ' HG3' ' CE1' ' B' ' 3' ' ' TYR . 52.5 tpp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.976 0.417 . . . . 0.0 111.572 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -98.36 129.9 45.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.403 178.792 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.432 ' CE1' ' HG3' ' B' ' 1' ' ' MET . 86.9 m-85 -116.92 146.39 43.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 0.0 111.462 -179.587 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.581 ' O ' ' HA ' ' A' ' 51' ' ' THR . 55.0 tptt -108.66 100.46 9.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.084 179.891 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' B' ' 16' ' ' THR . 94.7 t -93.98 132.74 37.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.967 0.413 . . . . 0.0 110.981 -179.451 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.429 ' CG2' ' OD1' ' B' ' 8' ' ' ASN . 60.0 mt -112.14 133.02 59.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.57 -179.888 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 16.0 mt -111.64 93.49 4.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 -179.219 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.631 ' O ' ' HA ' ' A' ' 55' ' ' THR . 6.2 m120 -98.1 109.66 22.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.528 -179.426 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.47 -165.98 14.27 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.555 179.602 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.456 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.3 mtmp? -81.02 -55.87 4.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.922 0.392 . . . . 0.0 110.443 179.743 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.411 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 3.6 p -105.3 3.55 30.04 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.025 -179.596 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.47 HD13 ' OG1' ' A' ' 16' ' ' THR . 23.6 tp -139.62 138.81 36.45 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.25 0.548 . . . . 0.0 111.809 -179.287 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' B' ' 13' ' ' LYS . 2.1 mptp? -143.89 145.45 32.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.583 179.107 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.26 -172.23 42.45 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 119.774 -1.203 . . . . 0.0 113.544 -179.894 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . 0.498 ' HB3' ' HE3' ' B' ' 4' ' ' LYS . 52.9 mp0 -141.07 151.14 43.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.403 -0.399 . . . . 0.0 110.219 179.712 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.468 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -151.15 168.46 24.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.989 -179.579 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' B' ' 3' ' ' TYR . 72.5 p -143.46 120.56 11.44 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -178.693 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.456 ' CA ' HD12 ' A' ' 12' ' ' LEU . 13.0 t -112.0 147.24 36.37 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.632 178.529 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -110.16 120.89 43.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.591 0.234 . . . . 0.0 110.787 -179.949 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.1 153.5 37.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.195 0.521 . . . . 0.0 112.101 -179.808 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 25.2 t -51.01 -25.89 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.871 -179.177 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.437 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 6.8 p-10 -157.33 174.48 15.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 111.607 179.563 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.85 -43.01 90.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.669 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.62 -56.44 19.82 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.448 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.437 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 26.0 p -50.67 -44.39 57.73 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.308 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.15 -51.77 68.18 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -51.83 -50.2 61.33 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.009 179.341 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -45.71 86.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.491 179.437 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.412 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 92.5 t -56.48 -40.4 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.538 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.513 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 99.7 t -66.74 -49.5 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 177.732 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.435 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . 95.2 mttt -47.01 -48.22 21.9 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.375 0.607 . . . . 0.0 110.171 178.499 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -59.32 -34.9 72.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.595 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.513 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 35.6 t80 -54.86 -62.32 1.74 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.004 179.078 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -68.6 -40.67 80.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.868 179.61 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.411 ' ND2' ' CG2' ' A' ' 39' ' ' VAL . 30.9 t-20 -49.55 -38.72 31.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.618 0.723 . . . . 0.0 109.731 178.313 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -94.86 -24.71 16.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.668 -1.151 . . . . 0.0 112.769 -179.484 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.0 m-20 -76.37 -41.86 46.63 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.062 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.18 -120.13 0.0 OUTLIER Glycine 0 CA--C 1.521 0.411 0 CA-C-N 114.465 -1.243 . . . . 0.0 115.884 179.841 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.412 ' CG2' ' ND2' ' A' ' 35' ' ' ASN . 88.7 t -84.91 -55.13 7.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 -175.731 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -86.9 26.79 1.08 Allowed 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -177.087 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.01 159.54 53.93 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 119.831 -1.176 . . . . 0.0 112.017 179.422 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -88.15 96.63 10.61 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.361 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.44 ' CH2' ' HA ' ' A' ' 31' ' ' LYS . 7.2 m0 -100.29 121.26 41.2 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.257 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.0 p -105.54 134.93 47.85 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.671 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.504 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 14.0 t80 -106.72 142.08 36.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.071 0.462 . . . . 0.0 112.062 -178.626 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -123.49 81.29 1.88 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.386 179.053 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.58 -35.99 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.552 -179.492 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.11 -34.09 20.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.261 -179.191 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 72.4 p -128.34 12.78 6.55 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.494 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm 54.1 30.63 12.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.938 0.399 . . . . 0.0 110.395 -179.565 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.583 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 95.5 m -105.25 149.36 26.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.655 -178.819 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.504 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 25.9 m-85 -125.35 95.34 4.43 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.424 0.631 . . . . 0.0 111.907 179.539 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -75.45 126.51 31.16 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.356 179.311 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 71.8 t -112.19 111.51 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.047 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.633 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 26.3 m -100.56 116.23 32.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.92 0.391 . . . . 0.0 111.784 -178.917 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.258 179.979 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 17' ' ' THR . 4.3 m-85 -129.38 148.51 51.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.742 0.306 . . . . 0.0 110.944 -179.738 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' B' ' 51' ' ' THR . 24.4 ttmm -108.01 107.84 18.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.172 179.716 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.532 ' HB ' HG21 ' A' ' 16' ' ' THR . 61.9 t -94.12 124.09 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.394 0.616 . . . . 0.0 111.496 -179.091 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.414 HG13 ' CG2' ' B' ' 51' ' ' THR . 72.2 mt -94.92 120.67 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.32 179.298 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.434 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.6 mt -99.0 88.64 4.03 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.752 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' B' ' 55' ' ' THR . 32.2 t-20 -97.66 106.81 19.18 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.225 -177.951 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.84 -165.89 14.05 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.562 -0.827 . . . . 0.0 112.5 179.28 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.468 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.4 mtmp? -76.98 -56.5 4.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.709 0.29 . . . . 0.0 111.053 -179.933 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.454 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 7.1 p -108.19 7.86 27.67 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.219 -179.299 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.525 HD11 ' CA ' ' B' ' 18' ' ' THR . 25.7 tp -138.76 137.98 37.21 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.265 0.555 . . . . 0.0 111.532 -179.486 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -145.45 146.29 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.749 179.192 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.504 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.6 -168.69 38.25 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 119.79 -1.195 . . . . 0.0 113.536 -179.854 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -146.54 135.27 22.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.962 0.41 . . . . 0.0 110.451 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.532 HG21 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -133.43 168.55 18.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.66 -179.961 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 40.1 p -143.21 116.88 9.22 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.734 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.516 ' CA ' HD11 ' B' ' 12' ' ' LEU . 12.1 t -103.65 140.33 37.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.599 178.274 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -100.14 108.42 20.55 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.338 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.37 150.23 38.82 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.2 0.524 . . . . 0.0 112.125 -178.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -51.08 -36.86 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.218 -178.827 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -145.94 172.04 13.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.907 0.384 . . . . 0.0 111.446 179.807 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.63 -42.71 83.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.668 -179.365 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.68 -53.08 59.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.649 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.9 p -53.51 -45.49 69.75 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.517 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.96 -52.89 63.45 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.092 177.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.34 -48.79 62.33 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.496 179.178 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -60.42 -43.42 96.75 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.07 0.462 . . . . 0.0 109.869 179.253 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.453 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 69.0 t -56.67 -41.41 74.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.243 178.932 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.591 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 30.6 t -66.4 -48.63 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.517 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 28.4 mtpp -49.29 -49.43 43.73 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.057 0.456 . . . . 0.0 110.069 178.711 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -60.66 -37.23 80.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.525 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.591 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 47.0 t80 -54.52 -60.44 3.34 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.053 179.087 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -69.73 -39.78 76.59 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.771 179.167 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 35.8 t-20 -49.44 -39.67 34.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.553 0.692 . . . . 0.0 109.778 178.67 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.71 -22.89 17.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.649 -1.16 . . . . 0.0 112.608 -179.861 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.473 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.9 m-20 -79.14 -46.29 18.27 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.61 -0.436 . . . . 0.0 109.943 179.216 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.62 -117.32 0.0 OUTLIER Glycine 0 CA--C 1.52 0.389 0 CA-C-N 114.774 -1.103 . . . . 0.0 115.431 179.86 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 21.5 t -110.01 5.03 8.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -176.295 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -125.15 12.97 8.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 118.582 0.628 . . . . 0.0 111.94 -179.812 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.29 174.77 53.58 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.607 -0.806 . . . . 0.0 113.062 -179.714 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -96.17 99.38 11.12 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.387 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.467 ' CZ3' HG13 ' B' ' 30' ' ' VAL . 20.8 m95 -91.4 111.86 23.53 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.468 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.4 p -108.32 134.9 50.5 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.188 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.497 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 9.0 t80 -111.41 147.08 35.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.053 0.454 . . . . 0.0 111.626 -178.845 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -123.23 81.9 1.94 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.6 179.509 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.412 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 54.8 m-20 -47.7 -35.16 9.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.617 -179.632 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.54 -33.7 15.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.979 -178.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.9 p -128.2 17.02 6.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.546 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mttm 48.47 35.65 6.2 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.107 0.479 . . . . 0.0 110.404 -179.425 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 95.6 m -116.43 140.94 48.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.565 -178.84 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.497 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 24.6 m-85 -106.97 130.03 54.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.439 179.417 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 3.0 p -111.23 123.63 50.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.157 0.503 . . . . 0.0 111.593 179.395 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -107.0 106.6 20.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.102 178.697 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 8.5 m -93.66 109.83 21.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.939 0.399 . . . . 0.0 111.882 -178.267 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.143 179.747 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtm . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 121.089 0.471 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -107.27 147.45 30.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.691 178.894 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' B' ' 17' ' ' THR . 4.1 m-85 -129.42 148.35 51.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.704 0.288 . . . . 0.0 110.996 -179.627 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 51' ' ' THR . 24.4 ttmm -107.9 107.85 18.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.163 179.739 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.53 ' HB ' HG21 ' B' ' 16' ' ' THR . 60.9 t -94.1 124.01 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.389 0.614 . . . . 0.0 111.559 -179.198 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 53' ' ' THR . 72.3 mt -94.89 120.64 44.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.279 179.352 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mt -98.98 88.58 4.02 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.669 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.51 ' O ' ' HA ' ' A' ' 55' ' ' THR . 32.2 t-20 -97.63 106.86 19.24 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.219 -177.807 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.93 -165.93 14.02 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.499 179.319 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.464 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.3 mtmp? -76.81 -56.69 4.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.868 0.366 . . . . 0.0 111.055 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.453 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 7.1 p -108.05 7.74 27.91 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.267 -179.256 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.516 HD11 ' CA ' ' A' ' 18' ' ' THR . 25.5 tp -138.76 138.14 37.35 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.347 0.594 . . . . 0.0 111.462 -179.485 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -145.46 146.21 31.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.771 179.252 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.502 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.6 -168.66 38.21 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 119.808 -1.187 . . . . 0.0 113.537 -179.878 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -146.55 135.15 22.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.917 0.389 . . . . 0.0 110.505 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.53 HG21 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -133.51 168.49 18.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.661 -179.981 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' B' ' 3' ' ' TYR . 39.9 p -143.21 117.0 9.29 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.666 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.525 ' CA ' HD11 ' A' ' 12' ' ' LEU . 12.1 t -103.7 140.35 37.72 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.512 178.385 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -100.18 108.48 20.6 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.285 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.45 150.22 38.7 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.326 0.584 . . . . 0.0 112.138 -178.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.98 -36.99 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.153 -178.776 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -145.89 172.07 13.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.912 0.387 . . . . 0.0 111.42 179.888 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.65 84.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.616 -179.319 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.54 -53.16 58.89 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.542 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 76.6 p -53.65 -45.44 70.22 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.612 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.94 -52.81 63.84 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.167 177.932 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.46 -48.75 62.7 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.512 179.129 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -60.41 -43.39 96.75 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.11 0.481 . . . . 0.0 109.882 179.215 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.454 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 69.0 t -56.78 -41.31 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.183 179.03 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.586 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 31.1 t -66.42 -48.67 80.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.51 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 28.3 mtpp -49.15 -49.49 42.08 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.094 0.473 . . . . 0.0 110.121 178.684 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -60.72 -37.11 80.6 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.073 179.593 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.586 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 46.5 t80 -54.6 -60.4 3.4 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.054 179.053 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -69.69 -39.84 76.71 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.726 179.157 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' B' ' 31' ' ' LYS . 35.8 t-20 -49.43 -39.73 33.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.562 0.696 . . . . 0.0 109.814 178.661 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.68 -22.85 17.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.574 -1.194 . . . . 0.0 112.634 -179.849 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.474 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.9 m-20 -79.08 -46.28 18.4 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.019 0.438 . . . . 0.0 109.976 179.182 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.8 -117.32 0.0 OUTLIER Glycine 0 C--N 1.334 0.429 0 CA-C-N 114.724 -1.125 . . . . 0.0 115.335 179.932 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.418 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 21.5 t -110.02 5.12 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -176.233 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -125.22 13.1 8.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 118.565 0.62 . . . . 0.0 111.941 -179.886 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.41 174.8 53.48 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.988 -179.657 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -96.2 99.29 11.03 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.487 179.675 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.465 ' CZ3' HG13 ' A' ' 30' ' ' VAL . 20.4 m95 -91.28 111.79 23.42 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -178.404 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 72.7 p -108.27 134.85 50.53 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.128 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 9.0 t80 -111.37 147.11 35.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.031 0.443 . . . . 0.0 111.663 -178.877 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -123.23 81.93 1.94 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.602 179.507 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.412 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 54.5 m-20 -47.73 -35.13 9.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.674 -179.642 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.68 -33.55 16.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.941 -178.907 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 72.6 p -128.32 17.03 6.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.458 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mttm 48.57 35.55 6.24 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.054 0.454 . . . . 0.0 110.362 -179.557 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 95.3 m -116.38 141.0 48.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.648 -178.882 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.494 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 24.6 m-85 -106.98 130.05 54.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.326 179.58 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -111.32 123.55 50.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.209 0.528 . . . . 0.0 111.451 179.449 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -106.99 106.68 21.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.039 178.601 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 8.4 m -93.67 109.89 21.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.071 0.463 . . . . 0.0 111.811 -178.342 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.171 -0.918 . . . . 0.0 111.142 179.65 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.676 0.274 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -125.02 140.41 52.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.068 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.474 ' HB2' ' NZ ' ' A' ' 4' ' ' LYS . 4.8 ttmp? -105.59 110.33 22.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.067 179.367 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.52 ' HB ' HG23 ' A' ' 16' ' ' THR . 59.7 t -94.89 135.27 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-O 121.242 0.544 . . . . 0.0 110.789 -179.824 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.445 ' CG2' ' OD1' ' A' ' 8' ' ' ASN . 69.2 mt -110.85 130.25 64.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.353 -179.775 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.495 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.6 mt -109.6 102.78 11.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.242 -179.427 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.58 ' O ' ' HA ' ' B' ' 55' ' ' THR . 6.2 m120 -105.36 102.68 12.15 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.048 -178.794 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.19 151.34 17.64 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.539 179.173 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -46.27 -55.91 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.77 0.319 . . . . 0.0 111.705 -179.82 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.2 p -98.89 -4.85 32.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.064 -178.848 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 9' ' ' GLY . 18.4 tp -137.17 137.14 38.86 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.359 -179.558 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -145.25 145.56 31.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.68 179.599 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.64 -171.17 42.8 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.095 -1.05 . . . . 0.0 113.589 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -138.08 151.15 47.54 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.57 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.52 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -151.21 168.99 23.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.956 -179.435 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.2 p -143.67 122.84 12.93 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -179.023 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.474 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.9 t -111.17 144.51 40.21 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.964 178.874 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -104.78 113.67 27.4 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 179.602 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.11 151.29 37.46 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.245 0.545 . . . . 0.0 112.02 -179.327 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.3 t -50.94 -26.97 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.971 -179.006 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.447 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 7.3 p-10 -158.95 174.44 14.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.964 0.411 . . . . 0.0 111.778 179.564 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.65 -42.42 88.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.204 -179.595 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.16 -57.73 10.42 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.189 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.447 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 31.1 p -50.53 -44.85 56.45 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.038 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.26 -49.86 76.21 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.528 178.246 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 2.8 tp10 -52.14 -48.4 64.9 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.431 179.617 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 10.9 mptt -65.58 -48.97 70.52 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.551 179.46 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.5 t -49.51 -41.36 15.71 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.543 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 63.0 t -64.07 -46.38 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.555 177.393 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.594 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 37.3 mmtm -47.55 -52.96 15.87 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-O 121.134 0.493 . . . . 0.0 109.711 178.766 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.432 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 3.6 tp-100 -57.59 -39.67 77.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.268 179.658 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.495 ' CZ ' ' HB3' ' B' ' 7' ' ' LEU . 19.1 t80 -51.85 -67.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.007 179.411 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.451 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 26.1 m-85 -63.95 -36.86 85.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.208 179.439 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.432 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 29.4 t-20 -53.72 -38.81 64.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.391 0.615 . . . . 0.0 110.004 178.57 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -92.29 -24.01 19.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.864 -179.599 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 38' ' ' GLY . 79.7 m-20 -82.44 -46.13 13.88 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.013 0.435 . . . . 0.0 110.618 179.724 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -15.44 -110.84 0.0 OUTLIER Glycine 0 CA--C 1.52 0.361 0 N-CA-C 115.921 1.129 . . . . 0.0 115.921 -179.23 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.415 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 22.7 t -111.15 5.4 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -176.7 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -125.61 6.35 7.53 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.869 -0.519 . . . . 0.0 111.539 179.891 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.58 176.03 51.0 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.234 -179.417 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 2.3 mp0 -117.22 121.15 40.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.751 0.31 . . . . 0.0 110.3 179.532 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.593 ' CH2' ' HD3' ' B' ' 31' ' ' LYS . 10.6 m0 -120.15 144.55 47.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.051 -179.847 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.412 ' OG1' ' OG1' ' A' ' 53' ' ' THR . 68.5 p -113.73 142.78 45.62 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.159 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.488 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 14.2 t80 -109.21 142.37 40.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.979 0.419 . . . . 0.0 111.871 -178.785 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.48 81.68 1.92 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.301 179.296 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -48.33 -36.27 14.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.612 -179.485 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.93 -31.06 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.952 -179.274 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.9 p -128.13 13.59 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.77 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 50.98 33.14 8.4 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.763 0.316 . . . . 0.0 110.616 -179.755 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.44 ' CG2' HG13 ' B' ' 6' ' ' ILE . 93.4 m -121.76 141.7 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.272 0.558 . . . . 0.0 111.9 -178.822 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.488 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -111.39 147.17 35.79 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.156 179.67 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.412 ' OG1' ' OG1' ' A' ' 44' ' ' THR . 2.9 p -122.26 128.97 51.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.043 0.449 . . . . 0.0 111.323 178.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.412 HG22 ' CG ' ' A' ' 43' ' ' TRP . 68.3 t -108.64 112.52 40.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.981 179.325 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.574 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 31.3 m -105.68 119.32 38.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.825 0.345 . . . . 0.0 111.917 -178.821 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.792 179.89 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.469 ' CE ' ' CZ ' ' B' ' 3' ' ' TYR . 4.9 tmm? . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.619 0.247 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -95.85 134.98 38.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.764 0.316 . . . . 0.0 110.428 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.469 ' CZ ' ' CE ' ' B' ' 1' ' ' MET . 93.9 m-85 -125.03 140.48 52.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.997 -179.916 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.471 ' NZ ' ' HB2' ' B' ' 4' ' ' LYS . 4.8 ttmp? -105.59 110.26 22.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.109 179.36 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.516 ' HB ' HG23 ' B' ' 16' ' ' THR . 59.9 t -94.84 135.31 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 121.245 0.545 . . . . 0.0 110.771 -179.804 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.451 ' CG2' ' OD1' ' B' ' 8' ' ' ASN . 69.2 mt -110.91 130.26 64.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.335 -179.789 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.5 mt -109.65 102.86 11.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.181 -179.431 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.574 ' O ' ' HA ' ' A' ' 55' ' ' THR . 6.2 m120 -105.38 102.73 12.18 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.092 -178.87 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.32 151.21 17.64 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.456 179.312 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -46.11 -55.99 6.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.744 0.307 . . . . 0.0 111.811 -179.923 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 3.2 p -98.71 -4.91 32.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.105 -178.915 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' B' ' 9' ' ' GLY . 18.3 tp -137.17 137.16 38.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.743 0.306 . . . . 0.0 111.356 -179.446 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -145.34 145.48 31.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.631 179.671 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.488 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.71 -171.11 42.68 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.011 -1.09 . . . . 0.0 113.597 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -138.15 151.16 47.47 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.593 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.516 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -151.22 169.06 22.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.033 -179.503 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 72.7 p -143.77 122.75 12.79 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.737 0.644 . . . . 0.0 112.737 -178.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.479 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.7 t -111.1 144.44 40.22 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.872 178.924 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -104.65 113.67 27.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.47 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.23 151.31 37.38 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.253 0.549 . . . . 0.0 111.952 -179.327 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 31.2 t -50.91 -26.94 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.97 -178.929 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.448 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 7.3 p-10 -158.93 174.41 15.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 111.731 179.635 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.6 -42.44 88.1 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.3 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.15 -57.79 10.21 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.139 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 25' ' ' THR . . . . . 0.448 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 31.4 p -50.47 -44.84 55.84 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.027 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.3 -49.79 76.49 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.567 178.274 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 2.8 tp10 -52.2 -48.32 65.13 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.502 179.59 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' B' ' 31' ' ' LYS . 10.9 mptt -65.63 -48.79 71.01 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.615 179.345 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 57.8 t -49.75 -41.24 16.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.621 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.41 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 63.4 t -64.11 -46.4 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.394 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.593 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 37.3 mmtm -47.53 -53.02 15.56 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-O 121.154 0.502 . . . . 0.0 109.68 178.796 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . 0.435 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 3.6 tp-100 -57.56 -39.6 77.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.324 179.63 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 7' ' ' LEU . 18.8 t80 -51.97 -67.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.093 179.449 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.451 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 26.0 m-85 -63.93 -36.89 85.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.256 179.33 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.435 ' HB3' ' HA ' ' B' ' 32' ' ' GLN . 29.3 t-20 -53.75 -38.8 64.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.359 0.6 . . . . 0.0 109.963 178.602 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -92.23 -24.07 19.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.855 -179.651 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' B' ' 38' ' ' GLY . 79.7 m-20 -82.56 -45.98 13.94 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.937 0.398 . . . . 0.0 110.626 179.787 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -15.48 -110.79 0.0 OUTLIER Glycine 0 CA--C 1.52 0.402 0 N-CA-C 115.953 1.141 . . . . 0.0 115.953 -179.301 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.415 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 22.6 t -111.26 5.49 8.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -176.745 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -125.64 6.33 7.51 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.862 -0.523 . . . . 0.0 111.634 179.804 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.53 176.04 51.08 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.562 -0.828 . . . . 0.0 113.216 -179.436 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 2.3 mp0 -117.2 121.1 40.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.675 0.274 . . . . 0.0 110.376 179.538 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.594 ' CH2' ' HD3' ' A' ' 31' ' ' LYS . 10.5 m0 -119.96 144.46 47.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.153 -179.816 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 44' ' ' THR . . . . . 0.412 ' OG1' ' OG1' ' B' ' 53' ' ' THR . 68.7 p -113.75 142.7 45.72 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.206 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.49 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 14.2 t80 -109.22 142.32 40.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.984 0.421 . . . . 0.0 111.895 -178.825 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.38 81.62 1.91 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.386 179.206 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -48.23 -36.23 13.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.624 -179.457 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.03 -31.05 11.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.914 -179.233 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.8 p -128.1 13.55 6.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -179.837 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp 51.11 33.03 8.55 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.751 0.31 . . . . 0.0 110.605 -179.821 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.443 ' CG2' HG13 ' A' ' 6' ' ' ILE . 93.0 m -121.71 141.7 50.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.23 0.538 . . . . 0.0 112.004 -178.876 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.49 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 0.9 OUTLIER -111.43 147.3 35.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.183 179.712 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.412 ' OG1' ' OG1' ' B' ' 44' ' ' THR . 3.0 p -122.26 128.97 51.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.054 0.454 . . . . 0.0 111.28 179.12 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.414 HG22 ' CG ' ' B' ' 43' ' ' TRP . 68.0 t -108.73 112.58 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.912 179.336 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.58 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 32.0 m -105.82 119.28 38.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.361 . . . . 0.0 111.892 -178.804 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.805 179.881 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 . . . . . 0 C--O 1.232 0.146 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -130.79 148.68 52.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.873 0.368 . . . . 0.0 110.762 -179.922 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' B' ' 51' ' ' THR . 5.0 ttpm? -107.41 151.2 25.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.913 179.444 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.491 ' HB ' HG23 ' A' ' 16' ' ' THR . 58.2 t -134.57 121.94 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.416 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.453 HG13 ' CG2' ' B' ' 51' ' ' THR . 76.8 mt -94.74 124.83 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.057 179.497 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.447 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 12.3 mt -105.73 85.96 2.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.445 -179.23 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.595 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.3 m120 -94.05 109.75 21.49 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.747 -179.302 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.402 ' HA3' ' HE1' ' B' ' 33' ' ' PHE . . . -116.44 -165.86 14.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.671 179.568 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.469 ' NZ ' ' HB3' ' A' ' 10' ' ' LYS . 0.9 OUTLIER -75.94 -58.0 3.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.11 0.481 . . . . 0.0 110.558 179.957 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.441 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 6.6 p -108.79 8.49 26.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.237 -179.329 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.501 HD13 ' CA ' ' B' ' 18' ' ' THR . 23.9 tp -140.08 139.58 35.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.192 0.52 . . . . 0.0 111.489 -179.407 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -145.22 147.17 32.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.012 179.391 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.463 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.09 -166.14 35.5 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 119.839 -1.172 . . . . 0.0 113.666 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -149.1 152.7 36.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.932 0.396 . . . . 0.0 110.683 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.491 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -151.06 169.48 21.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.633 -179.69 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 4' ' ' LYS . 43.0 p -142.22 119.59 11.58 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -178.49 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.509 ' CA ' HD13 ' B' ' 12' ' ' LEU . 15.0 t -107.79 141.61 39.1 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.571 179.25 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -98.6 110.34 22.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.885 179.29 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.62 147.43 31.06 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 121.255 0.55 . . . . 0.0 111.953 -179.15 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.2 -35.36 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.438 -178.792 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -148.84 172.75 14.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 0.0 111.391 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.03 -43.16 86.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.496 -179.452 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.58 -54.32 41.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.694 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.0 p -53.9 -45.81 71.22 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 178.281 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.1 -54.16 50.19 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 177.8 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -48.18 -49.28 33.21 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.214 178.811 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -61.1 -45.22 95.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.748 178.964 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.443 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 98.7 t -58.16 -39.52 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.195 179.085 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 99.0 t -68.69 -51.58 44.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.268 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -50.48 -41.58 53.34 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.872 0.367 . . . . 0.0 110.05 178.616 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -64.03 -37.11 86.25 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.457 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.526 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 51.0 t80 -55.01 -60.38 3.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.215 179.171 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -69.28 -40.38 77.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.796 179.497 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -50.56 -38.3 44.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.499 0.666 . . . . 0.0 109.89 178.54 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.29 -23.32 17.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.431 -179.659 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.2 m-20 -80.89 -46.74 14.77 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.664 -0.414 . . . . 0.0 109.946 179.178 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.32 -115.58 0.0 OUTLIER Glycine 0 CA--C 1.52 0.374 0 N-CA-C 115.683 1.033 . . . . 0.0 115.683 179.743 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' A' ' 39' ' ' VAL . 24.7 t -103.85 -0.44 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -175.947 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -125.2 16.7 8.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 119.126 0.875 . . . . 0.0 112.086 -179.626 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.86 167.81 53.05 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.488 -0.863 . . . . 0.0 113.145 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 47.6 mp0 -95.3 99.48 11.42 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.288 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -99.45 123.34 43.64 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -177.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.1 p -109.94 135.9 50.07 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 177.8 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.511 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 26.3 t80 -104.86 144.57 31.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.068 0.461 . . . . 0.0 111.938 -178.727 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -123.21 81.23 1.86 Allowed 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.649 179.32 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.57 -36.57 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.795 -179.392 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.97 -33.67 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -178.887 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.7 p -128.32 15.74 6.64 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.659 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm 52.39 31.97 10.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.946 0.403 . . . . 0.0 110.293 -179.695 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.459 ' CG2' HG13 ' B' ' 6' ' ' ILE . 97.6 m -105.94 151.65 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.171 -179.385 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.511 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 22.8 m-85 -124.61 95.77 4.65 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.108 0.48 . . . . 0.0 111.51 179.602 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.5 p -75.22 124.91 27.9 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.787 179.715 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.6 t -108.28 98.59 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.277 178.81 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 3.5 m -91.89 116.54 29.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.499 -178.677 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.783 179.88 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.42 ' HE3' ' CZ ' ' B' ' 3' ' ' TYR . 49.5 ttp . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.773 0.32 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -102.61 144.34 31.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.252 179.276 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.42 ' CZ ' ' HE3' ' B' ' 1' ' ' MET . 3.0 m-85 -130.78 148.72 52.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.97 0.414 . . . . 0.0 110.78 -179.933 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 51' ' ' THR . 5.0 ttpm? -107.48 151.28 25.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.911 179.473 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.497 ' HB ' HG23 ' B' ' 16' ' ' THR . 58.0 t -134.7 121.83 36.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.275 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.459 HG13 ' CG2' ' A' ' 51' ' ' THR . 76.7 mt -94.65 124.78 47.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.14 179.497 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 12.3 mt -105.77 85.9 2.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.435 -179.172 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.599 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.3 m120 -94.04 109.76 21.49 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.842 -179.357 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.402 ' HA3' ' HE1' ' A' ' 33' ' ' PHE . . . -116.45 -165.91 14.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.597 179.673 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.47 ' NZ ' ' HB3' ' B' ' 10' ' ' LYS . 0.9 OUTLIER -75.92 -58.03 3.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.022 0.439 . . . . 0.0 110.536 179.96 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.443 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 6.5 p -108.71 8.59 26.94 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.291 -179.333 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.509 HD13 ' CA ' ' A' ' 18' ' ' THR . 23.8 tp -140.21 139.43 35.64 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.149 0.5 . . . . 0.0 111.512 -179.315 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . 0.43 ' N ' ' HD2' ' B' ' 13' ' ' LYS . 0.0 OUTLIER -145.13 147.21 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.993 179.409 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.467 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.01 -166.21 35.66 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 119.825 -1.179 . . . . 0.0 113.658 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -149.05 152.77 36.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.878 0.37 . . . . 0.0 110.715 -179.915 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.497 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.1 OUTLIER -151.14 169.36 22.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.702 -179.624 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' B' B ' 17' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' B' ' 4' ' ' LYS . 42.3 p -142.17 119.6 11.62 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.426 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.501 ' CA ' HD13 ' A' ' 12' ' ' LEU . 14.9 t -107.75 141.61 39.03 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.599 179.22 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' B' ' 1' ' ' MET . 17.9 tp10 -98.58 110.19 22.83 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.304 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.4 ' HB2' ' HA ' ' B' ' 26' ' ' ALA . . . -146.53 147.55 31.26 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.173 0.511 . . . . 0.0 112.036 -179.281 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.23 -35.48 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.312 -178.733 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -148.87 172.72 14.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.867 0.365 . . . . 0.0 111.394 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.22 86.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.526 -179.417 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.48 -54.21 43.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.604 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 70.9 p -54.01 -45.75 71.61 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.309 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.4 ' HA ' ' HB2' ' B' ' 20' ' ' ALA . . . -59.23 -54.11 50.65 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 177.896 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -48.21 -49.18 33.92 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.24 178.817 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -61.14 -45.34 95.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.743 178.97 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.441 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 97.2 t -58.03 -39.54 72.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.141 179.082 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.528 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 98.9 t -68.77 -51.64 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.403 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -50.37 -41.57 52.02 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 120.915 0.388 . . . . 0.0 110.105 178.612 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -63.97 -37.29 86.86 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.436 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.528 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 50.9 t80 -54.83 -60.43 3.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.276 179.109 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -69.32 -40.21 77.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.822 179.506 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -50.85 -38.21 47.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.477 0.656 . . . . 0.0 109.885 178.515 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.24 -23.27 17.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.878 -1.055 . . . . 0.0 112.444 -179.767 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.4 m-20 -80.93 -46.56 14.99 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.022 179.179 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.57 -115.65 0.0 OUTLIER Glycine 0 CA--C 1.52 0.39 0 N-CA-C 115.627 1.011 . . . . 0.0 115.627 179.751 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.41 ' CG1' ' O ' ' B' ' 39' ' ' VAL . 24.0 t -103.66 -0.39 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -175.952 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -125.3 16.96 8.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 119.061 0.846 . . . . 0.0 112.06 -179.722 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.82 167.79 53.07 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.099 -179.66 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.46 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 48.0 mp0 -95.29 99.64 11.55 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.22 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -99.73 123.27 43.83 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -177.951 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.7 p -109.86 135.8 50.17 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.888 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 26.1 t80 -104.92 144.66 31.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.999 0.428 . . . . 0.0 111.988 -178.805 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -123.26 81.28 1.87 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.634 179.432 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.63 -36.63 7.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.844 -179.366 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.8 -33.79 17.62 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.929 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.3 p -128.25 15.63 6.68 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.613 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 52.34 31.98 10.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.894 0.378 . . . . 0.0 110.36 -179.591 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.453 ' CG2' HG13 ' A' ' 6' ' ' ILE . 97.2 m -105.68 151.68 24.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.307 -179.498 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.507 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 22.9 m-85 -124.72 95.78 4.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.158 0.504 . . . . 0.0 111.45 179.569 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.6 p -75.28 124.96 28.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.798 179.635 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.9 t -108.3 98.67 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.279 178.739 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.595 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 3.6 m -92.02 116.45 28.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.592 -178.739 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.874 179.935 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 . . . . . 0 N--CA 1.458 -0.037 0 CA-C-O 120.869 0.366 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.438 ' CE2' ' HE3' ' B' ' 50' ' ' LYS . 12.9 m-85 -121.37 148.83 43.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.744 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' B' ' 51' ' ' THR . 62.8 tttp -108.29 104.88 14.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.111 179.782 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.508 ' HB ' HG21 ' A' ' 16' ' ' THR . 64.2 t -94.4 120.33 43.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.442 0.639 . . . . 0.0 111.36 -179.381 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.7 mt -96.03 125.67 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.464 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 19.2 mt -104.82 93.52 4.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.5 179.606 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.7 t-20 -100.35 109.45 21.64 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.792 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.442 ' CA ' ' HB3' ' B' ' 56' ' ' GLU . . . -118.47 -166.29 13.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.606 179.217 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.552 ' HG2' ' HG2' ' B' ' 56' ' ' GLU . 4.9 mmmp? -80.33 -57.27 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 0.0 111.025 179.918 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.449 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 8.2 p -103.76 3.87 34.57 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.274 -179.482 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.477 HD13 ' CA ' ' B' ' 18' ' ' THR . 22.8 tp -137.76 138.47 39.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.316 0.579 . . . . 0.0 111.619 -179.461 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -145.18 143.68 30.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.824 179.449 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.462 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.53 -174.64 42.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 119.845 -1.169 . . . . 0.0 113.577 -179.94 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -140.97 135.91 31.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.8 0.334 . . . . 0.0 110.176 179.696 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.508 HG21 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -135.67 167.21 21.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.991 -179.818 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.2 p -143.35 119.08 10.48 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -178.588 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.486 ' CA ' HD13 ' B' ' 12' ' ' LEU . 12.0 t -107.59 144.45 34.61 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.89 178.617 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -102.75 114.08 28.03 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.437 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.2 152.39 37.14 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.305 0.574 . . . . 0.0 112.287 -179.212 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.3 t -51.11 -35.57 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.329 -178.899 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -148.41 172.13 14.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.37 . . . . 0.0 111.453 179.832 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.33 -42.71 87.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.375 -179.467 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.3 -55.63 26.31 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.452 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.1 p -51.73 -44.66 63.32 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.362 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.49 -51.24 70.3 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.058 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 89.3 tt0 -51.37 -50.18 60.05 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.755 179.359 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -64.28 -45.16 89.27 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.547 179.384 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.449 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 98.6 t -55.07 -40.86 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.657 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.557 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 22.0 t -65.63 -47.13 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.295 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.465 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 9.4 mtpm? -47.51 -49.6 25.54 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.368 0.604 . . . . 0.0 109.724 178.509 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -58.61 -37.15 75.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.461 179.933 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.557 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 47.0 t80 -53.8 -64.82 0.7 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.874 178.863 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.436 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 28.5 m-85 -65.57 -39.14 91.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.347 179.22 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.412 ' ND2' HG22 ' B' ' 39' ' ' VAL . 34.8 t-20 -50.61 -38.82 47.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.487 0.66 . . . . 0.0 109.774 178.42 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -94.52 -22.29 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.195 -179.807 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.487 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.5 m-20 -83.32 -46.6 12.42 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.675 179.826 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -10.71 -112.19 0.0 OUTLIER Glycine 0 CA--C 1.522 0.495 0 N-CA-C 115.678 1.031 . . . . 0.0 115.678 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.413 ' CG1' ' O ' ' A' ' 39' ' ' VAL . 21.5 t -111.3 5.32 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -176.419 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -122.62 10.76 9.75 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.74 -0.6 . . . . 0.0 111.987 -179.626 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.18 179.31 50.83 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.895 -179.826 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 49.0 mp0 -103.95 103.91 13.81 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.596 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.408 ' CZ3' HG12 ' B' ' 30' ' ' VAL . 12.9 m95 -94.74 118.69 32.15 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.638 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.7 p -111.47 138.09 48.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.578 178.424 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.532 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 9.6 t80 -110.54 145.91 36.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 111.655 -178.889 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.15 81.85 1.93 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.632 179.61 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.417 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 52.1 m-20 -45.86 -35.71 4.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.808 -179.523 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.71 -35.86 23.4 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.908 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.2 p -128.23 15.74 6.69 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.759 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HE3' ' CE2' ' B' ' 3' ' ' TYR . 31.3 mmmt 51.87 32.06 9.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.017 0.436 . . . . 0.0 110.048 -179.57 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 52' ' ' PHE . 85.2 m -110.96 149.97 29.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.664 -178.766 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.532 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 31.1 m-85 -119.32 134.05 55.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.996 179.096 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -111.14 93.17 4.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.184 0.516 . . . . 0.0 111.757 179.326 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.4 t -82.6 118.46 30.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.151 178.867 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.463 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 11.0 m -85.09 160.32 20.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.265 0.555 . . . . 0.0 111.796 -178.2 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.545 ' HG2' ' HG2' ' B' ' 10' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.228 179.554 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.726 0.298 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -104.6 138.07 41.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.957 0.408 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.44 ' CE2' ' HE3' ' A' ' 50' ' ' LYS . 13.3 m-85 -121.39 148.83 43.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 179.732 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 51' ' ' THR . 62.8 tttp -108.2 104.81 14.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.306 179.631 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.51 ' HB ' HG21 ' B' ' 16' ' ' THR . 63.5 t -94.42 120.38 43.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.445 0.64 . . . . 0.0 111.406 -179.299 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.446 HD12 HG21 ' B' ' 6' ' ' ILE . 68.9 mt -96.04 125.68 48.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.874 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 19.0 mt -104.77 93.56 4.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.462 179.619 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.421 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.7 t-20 -100.53 109.49 21.6 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -177.779 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.447 ' CA ' ' HB3' ' A' ' 56' ' ' GLU . . . -118.42 -166.36 13.64 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.606 179.25 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.545 ' HG2' ' HG2' ' A' ' 56' ' ' GLU . 4.9 mmmp? -80.38 -57.36 3.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 11' ' ' THR . . . . . 0.449 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 8.3 p -103.72 3.91 34.74 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.335 -179.429 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.486 HD13 ' CA ' ' A' ' 18' ' ' THR . 22.9 tp -137.67 138.44 39.41 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.197 0.522 . . . . 0.0 111.672 -179.468 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -145.21 143.74 30.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.849 179.345 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.459 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.55 -174.72 42.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 119.814 -1.184 . . . . 0.0 113.486 -179.824 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -140.96 136.05 31.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.915 0.388 . . . . 0.0 110.136 179.636 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.51 HG21 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -135.7 167.24 21.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.946 -179.764 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 50.7 p -143.46 119.02 10.37 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -178.629 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.477 ' CA ' HD13 ' A' ' 12' ' ' LEU . 12.1 t -107.57 144.43 34.6 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.924 178.607 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -102.71 113.91 27.71 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.488 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.09 152.36 37.22 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.235 0.541 . . . . 0.0 112.416 -179.239 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.2 t -51.18 -35.53 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.258 -178.872 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -148.42 172.14 14.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.899 0.38 . . . . 0.0 111.404 179.891 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.2 -42.88 87.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.394 -179.562 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.18 -55.61 26.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.48 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 35.5 p -51.76 -44.67 63.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.363 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.41 -51.31 70.02 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.04 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' B' ' 31' ' ' LYS . 89.2 tt0 -51.28 -50.21 59.73 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.879 179.288 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -64.32 -45.07 89.51 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.549 179.366 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.449 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 98.7 t -55.04 -40.93 56.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.574 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.556 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 21.9 t -65.52 -47.17 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.211 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.462 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 9.4 mtpm? -47.46 -49.62 25.04 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.43 0.633 . . . . 0.0 109.836 178.486 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -58.52 -37.25 75.23 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.392 179.895 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.556 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 47.0 t80 -53.75 -64.81 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.921 178.885 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.436 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 28.6 m-85 -65.48 -39.28 91.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.376 179.132 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . 0.413 ' ND2' HG22 ' A' ' 39' ' ' VAL . 34.8 t-20 -50.5 -39.02 47.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.519 0.676 . . . . 0.0 109.762 178.44 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -94.35 -22.46 18.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.794 -1.094 . . . . 0.0 112.21 -179.781 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.487 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.5 m-20 -83.22 -46.69 12.39 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.594 179.895 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -10.77 -112.22 0.0 OUTLIER Glycine 0 CA--C 1.521 0.456 0 N-CA-C 115.689 1.036 . . . . 0.0 115.689 -179.844 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 21.4 t -111.2 5.31 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -176.416 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -122.54 10.74 9.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.685 -0.634 . . . . 0.0 111.944 -179.622 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.25 179.36 50.75 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.847 -179.734 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 48.8 mp0 -103.99 103.92 13.81 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.61 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.408 ' CZ3' HG12 ' A' ' 30' ' ' VAL . 13.1 m95 -94.81 118.65 32.1 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -178.6 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 56.4 p -111.48 138.09 48.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.537 178.393 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.532 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 9.7 t80 -110.55 145.88 37.02 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.859 0.362 . . . . 0.0 111.685 -178.889 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.09 81.98 1.94 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.595 179.628 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.42 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 52.1 m-20 -45.94 -35.77 4.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.73 -179.555 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.71 -35.81 23.2 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.844 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.2 p -128.33 15.87 6.63 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.744 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . 0.438 ' HE3' ' CE2' ' A' ' 3' ' ' TYR . 31.3 mmmt 51.83 32.05 9.16 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.0 0.429 . . . . 0.0 110.096 -179.596 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 51' ' ' THR . . . . . 0.447 HG23 ' N ' ' B' ' 52' ' ' PHE . 85.1 m -111.06 150.0 29.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.542 -178.66 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.532 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 31.0 m-85 -119.36 134.09 55.39 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.96 179.11 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -111.22 93.24 4.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.328 0.585 . . . . 0.0 111.758 179.294 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 49.7 t -82.62 118.43 30.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.169 178.827 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.462 ' O ' ' OD1' ' B' ' 37' ' ' ASN . 10.9 m -85.07 160.35 20.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.229 0.537 . . . . 0.0 111.818 -178.179 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.552 ' HG2' ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.305 179.534 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.703 0.287 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -126.81 143.96 51.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -105.43 110.13 22.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.699 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.528 ' HB ' HG22 ' A' ' 16' ' ' THR . 61.2 t -95.21 126.73 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.36 0.6 . . . . 0.0 110.766 179.878 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.434 HG21 ' ND2' ' A' ' 8' ' ' ASN . 69.0 mt -101.75 127.1 55.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.602 -179.921 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.473 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.4 mt -106.59 84.96 2.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.37 -179.32 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.542 ' O ' ' HA ' ' B' ' 55' ' ' THR . 78.9 m-20 -90.66 102.7 15.45 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.122 0.487 . . . . 0.0 112.248 -179.122 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.74 151.95 17.26 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.516 179.248 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -46.02 -58.17 3.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.825 0.345 . . . . 0.0 111.69 179.784 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.405 ' HB ' HG13 ' B' ' 29' ' ' VAL . 4.2 p -98.17 -5.88 32.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.926 -178.945 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 9' ' ' GLY . 14.3 tp -134.53 135.46 42.37 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.055 -179.691 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -145.14 144.74 31.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.64 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.93 -168.63 39.04 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.16 -1.019 . . . . 0.0 113.416 179.78 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -143.47 141.87 30.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.836 0.351 . . . . 0.0 110.462 179.842 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.528 HG22 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -142.66 169.19 18.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.129 -179.422 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.7 p -143.64 121.55 12.02 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -178.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.502 ' CA ' HD11 ' B' ' 12' ' ' LEU . 11.9 t -106.07 142.6 35.5 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.892 178.704 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -102.49 114.45 28.66 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 179.648 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.424 ' HB1' ' HA ' ' A' ' 26' ' ' ALA . . . -149.04 151.06 33.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.229 0.538 . . . . 0.0 112.172 -179.402 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -51.12 -36.73 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.261 -178.732 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -145.61 171.32 14.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.833 0.349 . . . . 0.0 111.329 179.784 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.31 -42.74 82.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.545 -179.336 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.81 -54.4 39.46 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.587 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.0 p -52.74 -46.02 67.26 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.426 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.424 ' HA ' ' HB1' ' A' ' 20' ' ' ALA . . . -59.85 -53.28 59.76 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.04 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.416 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 88.9 tt0 -50.62 -48.88 57.85 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.497 178.851 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -58.79 -41.19 86.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 179.493 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.4 t -56.44 -39.96 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.406 179.611 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.483 ' CG1' ' CE2' ' A' ' 34' ' ' PHE . 57.9 t -62.9 -47.35 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.608 178.795 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' CE ' ' CZ3' ' B' ' 43' ' ' TRP . 1.2 mptm? -50.97 -47.5 61.31 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.464 179.108 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.417 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -64.6 -39.77 94.32 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.846 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.48 ' CZ ' ' HB3' ' B' ' 7' ' ' LEU . 29.6 t80 -53.91 -58.8 5.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.433 179.413 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.483 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 24.3 m-85 -70.23 -38.28 75.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.802 179.604 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -51.68 -38.59 55.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.353 0.597 . . . . 0.0 110.164 178.409 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -94.01 -24.54 17.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.424 -179.333 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 38' ' ' GLY . 88.2 m-20 -79.28 -46.28 18.08 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.102 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.445 ' HA2' ' CB ' ' B' ' 34' ' ' PHE . . . -7.52 -118.88 0.0 OUTLIER Glycine 0 C--N 1.334 0.439 0 CA-C-N 114.595 -1.184 . . . . 0.0 115.815 179.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.425 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 40.7 t -111.89 4.99 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -176.984 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -125.29 9.23 7.91 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 121.977 -0.452 . . . . 0.0 111.559 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.33 179.14 51.72 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.853 -179.705 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -114.74 117.92 32.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.926 0.393 . . . . 0.0 110.819 179.785 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.484 ' CD1' HG12 ' A' ' 54' ' ' VAL . 12.0 m0 -121.53 146.38 47.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.799 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -115.33 142.59 46.48 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.3 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 9.7 t80 -109.51 144.74 37.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 111.589 -178.936 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -123.3 82.93 2.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.698 179.607 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.412 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 54.0 m-20 -45.6 -37.91 6.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.644 -179.642 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.09 -32.13 14.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.009 -179.134 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.8 p -128.09 13.18 6.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.592 -179.794 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' CB ' ' NZ ' ' A' ' 50' ' ' LYS . 3.1 mtmp? 47.94 37.88 8.27 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.924 0.392 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.6 m -121.69 140.71 51.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.404 -179.382 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.509 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.5 m-85 -108.34 145.73 34.03 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.874 179.549 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -122.37 129.81 52.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.241 0.543 . . . . 0.0 111.201 179.316 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 43' ' ' TRP . 90.4 t -107.95 110.2 31.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.318 179.736 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.542 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 18.0 m -102.65 115.57 30.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.928 0.394 . . . . 0.0 111.381 -179.249 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.713 179.926 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.4 mmm . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.919 0.39 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -99.76 132.65 44.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.445 179.502 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -126.79 143.93 51.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -105.31 110.28 22.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.637 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.524 ' HB ' HG22 ' B' ' 16' ' ' THR . 61.5 t -95.28 126.79 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.34 0.591 . . . . 0.0 110.738 179.789 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.433 HG21 ' ND2' ' B' ' 8' ' ' ASN . 68.7 mt -101.91 127.14 55.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.616 -179.935 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.3 mt -106.51 84.91 2.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.343 -179.246 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 8' ' ' ASN . . . . . 0.542 ' O ' ' HA ' ' A' ' 55' ' ' THR . 79.0 m-20 -90.68 102.69 15.44 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.158 -179.129 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.61 151.87 17.33 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.542 179.147 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -45.95 -58.1 3.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.894 0.378 . . . . 0.0 111.808 179.688 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.3 p -98.22 -5.86 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.983 -179.047 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 12' ' ' LEU . . . . . 0.502 HD11 ' CA ' ' A' ' 18' ' ' THR . 14.2 tp -134.55 135.45 42.31 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.965 -179.647 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -145.2 144.94 31.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.689 179.82 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . 0.478 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.82 -168.68 39.18 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.099 -1.048 . . . . 0.0 113.353 179.876 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -143.31 141.85 31.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.504 179.852 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 16' ' ' THR . . . . . 0.524 HG22 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -142.61 169.07 18.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 -179.469 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 70.6 p -143.57 121.63 12.12 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.072 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 18' ' ' THR . . . . . 0.5 ' CA ' HD11 ' A' ' 12' ' ' LEU . 11.8 t -106.09 142.62 35.47 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.825 178.743 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -102.39 114.33 28.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 179.585 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . 0.425 ' HB1' ' HA ' ' B' ' 26' ' ' ALA . . . -149.06 151.05 33.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.283 0.563 . . . . 0.0 112.119 -179.403 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -51.0 -36.85 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.296 -178.723 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -145.48 171.38 14.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.368 . . . . 0.0 111.282 179.77 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.67 82.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.603 -179.405 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.76 -54.44 39.1 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.464 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 75.4 p -52.77 -45.94 67.34 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.371 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . 0.425 ' HA ' ' HB1' ' B' ' 20' ' ' ALA . . . -59.79 -53.39 58.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.126 177.9 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . 0.412 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 88.9 tt0 -50.63 -48.9 57.91 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.535 178.893 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -58.72 -41.19 85.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.56 179.455 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.405 HG13 ' HB ' ' A' ' 11' ' ' THR . 58.1 t -56.45 -39.97 64.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.444 179.605 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.483 ' CG1' ' CE2' ' B' ' 34' ' ' PHE . 57.8 t -62.83 -47.5 92.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.573 178.72 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.456 ' CE ' ' CZ3' ' A' ' 43' ' ' TRP . 1.2 mptm? -50.85 -47.51 60.26 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.029 0.443 . . . . 0.0 110.556 179.139 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . 0.42 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -64.71 -39.67 94.04 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.828 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' B' B ' 33' ' ' PHE . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 7' ' ' LEU . 29.7 t80 -53.97 -58.79 5.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.401 179.407 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 34' ' ' PHE . . . . . 0.483 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 24.3 m-85 -70.13 -38.36 75.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.862 179.533 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -51.72 -38.59 55.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.239 0.542 . . . . 0.0 110.083 178.494 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -94.0 -24.54 17.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.463 -179.375 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' B' ' 38' ' ' GLY . 88.2 m-20 -79.14 -46.37 18.12 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.04 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.445 ' HA2' ' CB ' ' A' ' 34' ' ' PHE . . . -7.59 -118.89 0.0 OUTLIER Glycine 0 C--N 1.334 0.418 0 CA-C-N 114.553 -1.203 . . . . 0.0 115.727 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 40.7 t -111.86 5.07 8.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -176.936 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -125.32 9.1 7.88 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 122.024 -0.422 . . . . 0.0 111.634 179.934 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.27 179.24 51.78 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.867 -179.649 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -114.82 117.85 31.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.829 0.347 . . . . 0.0 110.782 179.847 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.479 ' CD1' HG12 ' B' ' 54' ' ' VAL . 12.0 m0 -121.58 146.41 46.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.3 p -115.23 142.62 46.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.386 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 45' ' ' TYR . . . . . 0.506 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 9.8 t80 -109.63 144.75 37.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.934 0.397 . . . . 0.0 111.524 -178.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -123.28 82.87 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.598 179.726 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 47' ' ' ASP . . . . . 0.413 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 53.9 m-20 -45.6 -37.85 5.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.745 -179.685 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.0 -32.26 14.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.954 -179.226 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 70.0 p -128.1 13.19 6.71 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.8 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? 47.9 37.9 8.2 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.927 0.394 . . . . 0.0 110.941 -179.823 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 94.8 m -121.68 140.76 51.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.33 -179.371 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.506 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.5 m-85 -108.31 145.62 34.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.879 179.507 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -122.25 129.84 52.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.121 0.486 . . . . 0.0 111.253 179.225 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.479 HG12 ' CD1' ' B' ' 43' ' ' TRP . 93.0 t -107.91 110.32 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.247 179.716 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.542 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 17.8 m -102.68 115.55 30.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.885 0.374 . . . . 0.0 111.452 -179.356 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.721 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.405 ' HG2' ' N ' ' A' ' 2' ' ' GLN . 27.8 ttt . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.806 0.336 . . . . 2.19 111.052 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.405 ' N ' ' HG2' ' A' ' 1' ' ' MET . 54.3 tt0 -105.05 140.26 38.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 2.29 110.366 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.402 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 6.5 m-85 -126.6 145.79 50.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.93 110.985 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' B' ' 51' ' ' THR . 62.3 tttp -102.1 108.24 19.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.0 -0.546 . . . . 2.88 110.25 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 49.9 t -95.65 131.95 41.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.017 0.437 . . . . 1.08 111.126 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.431 HD12 HG22 ' A' ' 6' ' ' ILE . 73.6 mt -107.73 118.6 55.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.928 -0.578 . . . . 1.15 110.759 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.457 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 15.5 mt -96.93 82.29 3.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.964 -0.562 . . . . 1.14 109.491 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.626 ' O ' ' HA ' ' B' ' 55' ' ' THR . 34.4 t-20 -94.17 109.56 21.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.46 -0.791 . . . . 2.09 112.379 -178.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.03 -167.04 13.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.57 111.738 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -86.69 -58.12 2.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.045 0.45 . . . . 3.36 110.038 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.5 p -94.57 -5.33 46.11 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.735 -0.666 . . . . 1.06 110.688 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.495 HD11 ' OG1' ' B' ' 16' ' ' THR . 22.8 tp -135.68 136.35 40.83 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.119 0.485 . . . . 1.01 111.506 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -145.36 145.11 31.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.589 -0.732 . . . . 2.96 110.406 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.452 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -176.9 -172.35 41.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.213 -0.994 . . . . 0.17 113.383 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -142.01 138.65 32.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 1.92 110.442 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.495 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -139.79 168.88 18.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 1.05 111.258 -179.323 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 60.1 p -143.61 120.02 10.96 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.847 0.684 . . . . 1.04 112.847 -179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.484 ' CA ' HD13 ' B' ' 12' ' ' LEU . 15.3 t -108.94 147.18 32.63 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.856 -0.611 . . . . 1.01 109.44 178.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -108.73 119.17 38.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.516 0.198 . . . . 2.06 110.686 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.98 149.65 31.52 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.244 0.545 . . . . 1.05 111.87 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 t -50.4 -24.9 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.358 -0.837 . . . . 1.09 111.993 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -156.76 174.57 15.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.893 0.378 . . . . 1.3 111.42 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.402 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -59.26 -42.48 91.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 1.06 111.381 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 -54.97 31.03 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.942 -0.392 . . . . 1.1 109.942 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.7 p -50.34 -46.3 55.56 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.901 -0.778 . . . . 1.07 108.901 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.41 -53.54 57.15 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.702 -0.681 . . . . 1.1 109.204 178.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -51.98 -45.13 64.34 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 115.911 -0.586 . . . . 1.96 110.446 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -66.01 -49.45 67.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.865 -0.607 . . . . 2.56 110.301 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 81.9 t -54.01 -41.89 52.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.471 . . . . 1.15 109.913 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.491 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 57.3 t -63.16 -47.49 92.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.657 -0.702 . . . . 1.1 109.425 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -51.19 -43.17 61.3 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 116.323 -0.399 . . . . 2.6 110.493 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -61.14 -38.51 86.68 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.27 -0.641 . . . . 2.86 109.27 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.491 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 37.8 t80 -54.12 -60.84 2.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.248 -0.887 . . . . 0.32 110.195 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -69.06 -40.44 78.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.137 -0.938 . . . . 0.25 110.563 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -51.47 -38.23 52.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.543 0.687 . . . . 0.5 109.83 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.36 -23.91 17.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.8 -1.091 . . . . 1.18 112.453 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.456 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.9 m-20 -80.38 -46.63 15.71 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.418 -0.586 . . . . 0.2 109.418 178.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.66 -118.62 0.0 OUTLIER Glycine 0 C--N 1.333 0.366 0 CA-C-N 114.574 -1.193 . . . . 0.22 115.793 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.9 t -103.25 -2.06 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 114.911 1.449 . . . . 1.31 114.911 -175.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -126.01 17.0 7.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 119.313 0.96 . . . . 1.57 111.692 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.17 167.0 54.08 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.618 -0.801 . . . . 0.49 113.196 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -95.28 99.78 11.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.908 0.385 . . . . 2.19 110.397 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.429 ' CD1' ' N ' ' A' ' 43' ' ' TRP . 7.6 m0 -99.25 120.72 40.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.84 112.24 -178.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.2 p -104.8 138.34 41.22 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.272 -0.64 . . . . 1.13 109.272 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -111.04 141.6 44.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.014 0.435 . . . . 0.81 112.036 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.46 81.99 1.96 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.687 -0.688 . . . . 1.24 110.327 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.89 -37.08 13.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 1.17 111.806 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.57 -30.58 8.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.446 -0.343 . . . . 1.21 111.908 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.1 p -128.09 14.21 6.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.717 -0.22 . . . . 1.28 111.508 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm 48.48 35.21 5.6 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.847 0.356 . . . . 2.89 110.375 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 98.7 m -122.19 143.26 49.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.146 0.498 . . . . 1.06 112.023 -178.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.7 m-85 -108.77 142.45 39.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.442 -0.799 . . . . 0.55 109.654 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -120.84 101.99 8.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.259 0.552 . . . . 1.06 112.196 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.0 t -81.98 109.32 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.326 -0.852 . . . . 1.15 109.219 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.625 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 22.6 m -103.55 117.33 34.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 1.22 112.12 -178.243 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.279 -0.867 . . . . 2.34 110.931 179.654 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.405 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 27.8 ttt . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.835 0.35 . . . . 2.18 111.167 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.405 ' N ' ' HG2' ' B' ' 1' ' ' MET . 54.3 tt0 -104.98 140.24 38.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 2.29 110.365 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.406 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 6.5 m-85 -126.54 145.73 50.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.915 0.388 . . . . 0.93 110.98 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 51' ' ' THR . 62.3 tttp -102.01 108.16 19.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.016 -0.538 . . . . 2.88 110.319 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.401 ' O ' HG21 ' B' ' 16' ' ' THR . 49.4 t -95.59 131.86 41.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.986 0.422 . . . . 1.08 111.157 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.424 HG13 ' CG2' ' A' ' 51' ' ' THR . 73.8 mt -107.68 118.57 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 1.15 110.859 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 15.5 mt -96.85 82.24 3.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.936 -0.575 . . . . 1.14 109.52 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.625 ' O ' ' HA ' ' A' ' 55' ' ' THR . 34.3 t-20 -94.12 109.55 21.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.485 -0.779 . . . . 2.09 112.362 -178.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.97 -166.96 13.65 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.724 . . . . 0.57 111.73 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -86.69 -58.16 2.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.065 0.459 . . . . 3.36 110.022 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 7.6 p -94.57 -5.4 45.97 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.679 -0.691 . . . . 1.06 110.716 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.495 HD11 ' OG1' ' A' ' 16' ' ' THR . 22.8 tp -135.67 136.28 40.8 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.099 0.476 . . . . 1.01 111.569 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 36.6 mtmm -145.34 145.11 31.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.54 -0.754 . . . . 2.96 110.368 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -176.91 -172.34 41.42 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.101 -1.047 . . . . 0.17 113.362 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -142.03 138.71 31.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 1.92 110.456 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.495 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -139.79 168.76 19.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 1.05 111.272 -179.18 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 60.0 p -143.6 120.08 11.01 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.857 0.688 . . . . 1.04 112.857 -179.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.481 ' CA ' HD13 ' A' ' 12' ' ' LEU . 15.3 t -108.95 147.14 32.7 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.803 -0.635 . . . . 1.01 109.479 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -108.71 119.17 38.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.521 0.201 . . . . 2.06 110.664 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.98 149.62 31.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.188 0.518 . . . . 1.05 111.939 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 t -50.47 -24.88 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.379 -0.828 . . . . 1.09 111.954 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -156.72 174.7 15.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.879 0.371 . . . . 1.3 111.438 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.406 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -59.39 -42.42 91.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 1.06 111.371 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.77 -54.99 30.68 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.943 -0.391 . . . . 1.1 109.943 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 51.4 p -50.34 -46.25 55.58 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.973 -0.751 . . . . 1.07 108.973 178.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.49 -53.48 57.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.685 -0.689 . . . . 1.1 109.204 178.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -52.09 -45.0 64.66 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.966 -0.561 . . . . 1.96 110.427 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -66.08 -49.44 67.58 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.927 -0.579 . . . . 2.56 110.251 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 84.3 t -54.09 -41.85 52.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.078 0.466 . . . . 1.15 109.888 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.489 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 57.9 t -63.03 -47.59 91.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.722 -0.672 . . . . 1.1 109.481 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -51.14 -43.15 61.14 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 116.26 -0.427 . . . . 2.6 110.496 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -61.15 -38.5 86.66 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.346 -0.613 . . . . 2.86 109.346 178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.489 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 37.8 t80 -54.16 -60.88 2.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.218 -0.901 . . . . 0.32 110.166 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -68.94 -40.51 78.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.231 -0.895 . . . . 0.25 110.595 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -51.54 -38.18 52.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.452 0.644 . . . . 0.5 109.818 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.4 -23.84 17.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.823 -1.08 . . . . 1.18 112.414 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.457 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.0 m-20 -80.49 -46.49 15.79 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.414 -0.588 . . . . 0.2 109.414 178.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.74 -118.56 0.0 OUTLIER Glycine 0 C--N 1.332 0.353 0 CA-C-N 114.622 -1.172 . . . . 0.22 115.786 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 21.9 t -103.25 -2.14 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 114.82 1.415 . . . . 1.31 114.82 -175.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -125.94 16.89 7.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 119.378 0.99 . . . . 1.57 111.685 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.16 167.04 54.11 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.577 -0.82 . . . . 0.49 113.145 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -95.34 99.83 11.7 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.939 0.399 . . . . 2.19 110.414 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.431 ' CD1' ' N ' ' B' ' 43' ' ' TRP . 7.6 m0 -99.34 120.72 40.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.969 -0.559 . . . . 0.84 112.229 -178.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.0 p -104.81 138.44 41.07 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.271 -0.64 . . . . 1.13 109.271 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -111.12 141.66 44.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.037 0.446 . . . . 0.81 111.972 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.49 81.9 1.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.724 -0.671 . . . . 1.24 110.299 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.88 -37.03 13.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.225 -0.443 . . . . 1.17 111.842 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.6 -30.55 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.931 0.345 . . . . 1.21 111.931 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.5 p -128.13 14.28 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.741 -0.209 . . . . 1.28 111.48 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm 48.41 35.15 5.4 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.825 0.345 . . . . 2.89 110.422 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 98.8 m -122.16 143.24 49.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.147 0.499 . . . . 1.06 111.986 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' B' ' 52' ' ' PHE . 1.7 m-85 -108.66 142.47 39.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.408 -0.815 . . . . 0.55 109.708 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -120.92 102.07 8.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.269 0.556 . . . . 1.06 112.159 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -82.02 109.35 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.23 -0.895 . . . . 1.15 109.179 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.626 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 22.6 m -103.61 117.34 34.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.437 . . . . 1.22 112.14 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.309 -0.853 . . . . 2.34 110.955 179.715 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.465 ' HE1' ' CZ ' ' A' ' 3' ' ' TYR . 35.7 ttp . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.913 0.387 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -96.93 131.18 43.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.227 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.465 ' CZ ' ' HE1' ' A' ' 1' ' ' MET . 51.4 m-85 -123.99 140.48 52.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.572 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -105.4 112.28 25.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.819 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.472 ' HB ' HG23 ' A' ' 16' ' ' THR . 59.8 t -97.39 136.16 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.164 0.507 . . . . 0.0 110.462 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.443 HG13 ' CG2' ' B' ' 51' ' ' THR . 74.6 mt -109.91 125.34 67.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.751 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.1 mt -103.8 91.12 3.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.14 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.748 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.4 m120 -98.63 106.56 18.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.297 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.1 -171.03 18.58 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.122 179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -76.43 -56.08 4.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.991 0.424 . . . . 0.0 110.669 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.438 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 8.2 p -107.11 6.55 28.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.18 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.541 ' HB3' ' CD1' ' B' ' 33' ' ' PHE . 24.9 tp -138.06 137.89 38.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.1 0.476 . . . . 0.0 111.28 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HB3' ' NZ ' ' A' ' 13' ' ' LYS . 7.6 mtpm? -145.0 144.66 31.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.502 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -174.61 -177.03 43.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 119.984 -1.103 . . . . 0.0 113.266 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -137.94 139.12 39.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.819 0.342 . . . . 0.0 110.377 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.472 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -138.13 166.74 23.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.057 -179.592 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.8 p -143.8 122.65 12.7 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.499 ' CA ' HD13 ' B' ' 12' ' ' LEU . 12.4 t -106.9 140.77 39.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.23 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -99.77 108.93 21.36 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.46 148.58 36.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.24 0.543 . . . . 0.0 111.82 -179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.8 t -50.63 -26.11 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.02 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -158.29 175.91 13.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.913 0.387 . . . . 0.0 111.392 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.408 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -57.54 -42.29 82.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.595 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.83 -55.02 34.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.6 p -52.01 -46.02 64.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.71 -55.9 28.59 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' CG ' ' NZ ' ' A' ' 31' ' ' LYS . 88.8 tt0 -47.93 -49.21 30.91 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.658 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -60.44 -43.64 96.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.519 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.436 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 79.0 t -54.55 -40.54 50.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.512 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.527 ' CG1' ' CH2' ' B' ' 43' ' ' TRP . 29.4 t -62.46 -46.88 95.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 12.9 mptt -49.11 -50.55 36.64 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.167 178.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -63.81 -39.67 94.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.291 0.567 . . . . 0.0 109.493 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.544 ' CD1' ' HB3' ' B' ' 12' ' ' LEU . 52.9 t80 -54.0 -57.12 12.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.695 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.46 ' CD2' HG11 ' A' ' 30' ' ' VAL . 25.8 m-85 -75.49 -39.05 59.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.491 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -50.39 -37.94 40.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.411 0.624 . . . . 0.0 109.982 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -94.4 -24.99 17.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.052 -0.977 . . . . 0.0 112.739 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 90.1 m-20 -78.61 -46.33 19.54 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -2.72 -120.06 0.0 OUTLIER Glycine 0 C--N 1.332 0.347 0 CA-C-N 114.566 -1.197 . . . . 0.0 115.775 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.6 t -82.66 -55.39 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 -175.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -95.28 28.89 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -177.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.32 145.4 47.43 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 119.995 -1.098 . . . . 0.0 112.287 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -75.03 95.99 3.12 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.54 0.21 . . . . 0.0 110.442 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.524 ' CH2' ' CG1' ' B' ' 30' ' ' VAL . 7.4 m0 -108.76 131.54 54.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.6 p -106.51 139.24 41.3 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 177.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -111.44 139.47 46.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.004 0.431 . . . . 0.0 111.869 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -123.64 82.02 1.97 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.194 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.31 -36.33 20.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.39 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.82 -31.79 50.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.629 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.4 p -116.53 9.18 14.16 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.45 ' CE ' ' CE2' ' B' ' 3' ' ' TYR . 10.2 mmmm 48.96 36.69 8.81 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.677 0.275 . . . . 0.0 110.645 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.438 ' CG2' HG13 ' B' ' 6' ' ' ILE . 95.7 m -133.28 145.67 50.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.207 0.527 . . . . 0.0 111.811 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.2 m-85 -110.05 145.27 37.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.295 178.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -122.39 101.83 7.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.241 0.543 . . . . 0.0 111.821 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.461 HG13 ' CD1' ' A' ' 43' ' ' TRP . 73.4 t -82.98 116.51 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.927 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.736 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 5.8 m -112.57 121.69 45.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.947 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.838 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.471 ' HE1' ' CZ ' ' B' ' 3' ' ' TYR . 35.7 ttp . . . . . 0 N--CA 1.484 1.26 0 CA-C-O 120.785 0.326 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -96.9 131.22 43.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.156 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.471 ' CZ ' ' HE1' ' B' ' 1' ' ' MET . 51.2 m-85 -123.99 140.57 52.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.491 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -105.42 112.11 25.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.759 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.467 ' HB ' HG23 ' B' ' 16' ' ' THR . 59.9 t -97.3 136.19 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.071 0.462 . . . . 0.0 110.527 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.438 HG13 ' CG2' ' A' ' 51' ' ' THR . 75.0 mt -109.91 125.36 67.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.703 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 8.9 mt -103.82 91.14 3.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.183 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.736 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.4 m120 -98.73 106.65 18.94 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.285 -178.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.24 -171.0 18.48 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.302 -0.952 . . . . 0.0 112.145 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -76.4 -56.19 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.018 0.437 . . . . 0.0 110.551 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.436 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 8.1 p -107.09 6.64 29.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.265 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.544 ' HB3' ' CD1' ' A' ' 33' ' ' PHE . 24.8 tp -138.11 137.85 38.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.998 0.427 . . . . 0.0 111.261 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.442 ' NZ ' ' HB3' ' B' ' 13' ' ' LYS . 7.6 mtpm? -144.9 144.7 31.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.456 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.471 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -174.6 -176.92 43.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.304 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -138.02 139.16 39.47 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.883 0.373 . . . . 0.0 110.339 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.468 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -138.24 166.77 23.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.079 -179.653 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 64.0 p -143.76 122.64 12.72 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.497 ' CA ' HD13 ' A' ' 12' ' ' LEU . 12.5 t -106.84 140.85 39.01 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.324 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -99.75 108.94 21.39 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.44 148.68 36.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.138 0.494 . . . . 0.0 111.823 -179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 t -50.8 -26.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.921 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -158.29 175.81 13.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.883 0.373 . . . . 0.0 111.376 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.402 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -57.45 -42.3 82.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.628 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.76 -55.2 32.67 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 41.4 p -51.93 -46.0 64.51 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.65 -56.01 27.3 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -47.87 -49.19 30.31 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.735 178.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -60.53 -43.56 97.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.57 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.438 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 79.6 t -54.58 -40.5 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.633 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.524 ' CG1' ' CH2' ' A' ' 43' ' ' TRP . 29.0 t -62.32 -47.11 94.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.564 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.404 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 12.9 mptt -48.86 -50.58 34.08 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.318 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -63.89 -39.65 94.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.291 0.567 . . . . 0.0 109.499 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.541 ' CD1' ' HB3' ' A' ' 12' ' ' LEU . 52.4 t80 -54.01 -57.03 12.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.74 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.46 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 25.8 m-85 -75.68 -38.94 58.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.448 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -50.43 -38.03 41.16 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.384 0.611 . . . . 0.0 109.898 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -94.37 -24.93 17.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.788 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 90.0 m-20 -78.65 -46.43 19.2 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -2.65 -120.06 0.0 OUTLIER Glycine 0 C--N 1.333 0.385 0 CA-C-N 114.688 -1.142 . . . . 0.0 115.778 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.65 -55.38 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 -175.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -95.3 28.84 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -177.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.37 145.42 47.39 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 119.895 -1.145 . . . . 0.0 112.376 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -74.99 95.93 3.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.74 0.305 . . . . 0.0 110.434 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.527 ' CH2' ' CG1' ' A' ' 30' ' ' VAL . 7.4 m0 -108.73 131.5 54.88 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.5 p -106.43 139.25 41.2 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -111.52 139.47 46.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.998 0.428 . . . . 0.0 111.851 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -123.63 81.89 1.95 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.246 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.12 -36.46 19.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.879 0.371 . . . . 0.0 111.336 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.65 -31.87 49.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.674 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 63.5 p -116.46 9.01 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.452 ' CE ' ' CE2' ' A' ' 3' ' ' TYR . 10.2 mmmm 48.92 36.85 8.97 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.829 0.347 . . . . 0.0 110.685 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.443 ' CG2' HG13 ' A' ' 6' ' ' ILE . 95.6 m -133.36 145.62 50.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.124 0.488 . . . . 0.0 111.856 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' B' ' 52' ' ' PHE . 1.3 m-85 -110.07 145.31 37.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.266 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -122.35 101.86 7.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.236 0.541 . . . . 0.0 111.87 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' B' ' 43' ' ' TRP . 69.5 t -82.82 116.41 26.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.015 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.748 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 5.7 m -112.51 121.66 45.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.84 0.352 . . . . 0.0 111.011 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.856 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.707 0.289 . . . . 0.0 110.365 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.4 ' O ' ' SD ' ' A' ' 1' ' ' MET . 8.3 tt0 -101.29 132.69 46.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.426 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.438 ' CE2' ' HE2' ' B' ' 50' ' ' LYS . 8.0 m-85 -115.36 145.9 42.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.01 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -98.63 107.86 20.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.478 ' O ' HG23 ' A' ' 16' ' ' THR . 59.4 t -97.65 120.42 46.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' B' ' 53' ' ' THR . 65.3 mt -101.5 117.02 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.81 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.437 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.5 mt -97.72 87.2 3.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.608 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.5 t-20 -98.08 107.49 19.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.125 -177.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.4 -167.8 14.86 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.441 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' N ' ' HE2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -77.89 -57.05 4.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.891 0.376 . . . . 0.0 110.822 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.428 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 7.1 p -106.01 5.55 30.45 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.248 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.486 ' HB3' ' CD1' ' B' ' 33' ' ' PHE . 23.9 tp -136.86 136.99 39.22 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.112 0.482 . . . . 0.0 111.443 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 1.8 mppt? -144.45 144.68 31.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.095 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.474 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -176.12 -172.42 40.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.053 -1.07 . . . . 0.0 113.416 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -142.84 134.91 27.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.941 0.401 . . . . 0.0 110.606 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -136.28 167.67 20.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.142 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 61.8 p -143.44 122.27 12.69 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.48 ' CA ' HD13 ' B' ' 12' ' ' LEU . 14.1 t -110.52 147.4 34.21 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.782 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -109.22 120.7 43.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.603 0.239 . . . . 0.0 110.575 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.07 150.29 32.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.161 0.505 . . . . 0.0 111.992 -179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 t -51.07 -27.11 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.811 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -154.82 176.28 12.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 111.355 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.409 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -60.23 -43.14 96.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.494 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.61 -56.36 20.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.0 p -50.15 -46.01 53.7 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.45 -53.72 54.87 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.436 ' OE1' ' CE3' ' B' ' 43' ' ' TRP . 4.8 tp10 -49.91 -47.83 51.99 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.483 178.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -62.84 -45.03 94.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.278 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.429 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 87.3 t -55.33 -42.43 66.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.262 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.533 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 60.8 t -64.68 -48.36 85.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 57.6 mttp -53.38 -44.15 68.4 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.676 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -62.21 -39.1 91.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.47 0.652 . . . . 0.0 109.281 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.533 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 56.6 t80 -52.74 -63.31 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.007 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -66.88 -38.12 85.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.625 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 27.4 t-20 -52.41 -38.4 58.96 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.443 0.639 . . . . 0.0 109.919 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.95 -23.75 17.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.175 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.501 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.5 m-20 -81.59 -46.47 14.37 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.254 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.55 -113.97 0.0 OUTLIER Glycine 0 CA--C 1.521 0.466 0 CA-C-N 115.011 -0.995 . . . . 0.0 115.358 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.418 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 21.5 t -111.09 5.27 8.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -176.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -125.38 10.93 8.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.664 -0.648 . . . . 0.0 112.089 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.51 170.61 53.53 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.577 -0.821 . . . . 0.0 113.425 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -97.65 104.26 16.27 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.438 ' CE3' ' OE1' ' B' ' 27' ' ' GLU . 9.4 m0 -102.62 123.79 46.99 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.8 p -108.58 138.03 45.56 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 18.3 t80 -114.09 144.55 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.078 0.466 . . . . 0.0 111.973 -178.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.71 83.62 2.16 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.198 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.3 -36.61 21.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.629 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.95 -29.26 8.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.838 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.1 p -128.16 12.05 6.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.611 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HE2' ' CE2' ' B' ' 3' ' ' TYR . 14.2 mmmm 49.31 33.05 4.87 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.843 0.354 . . . . 0.0 110.215 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.417 HG21 ' N ' ' A' ' 52' ' ' PHE . 94.2 m -117.8 144.14 45.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.381 -178.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.508 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.1 m-85 -115.65 141.85 47.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.407 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -118.84 123.64 45.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.108 0.48 . . . . 0.0 111.181 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.9 t -102.77 107.15 21.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.897 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.608 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 17.0 m -99.68 113.19 25.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.932 0.396 . . . . 0.0 111.446 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.828 -179.864 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' B' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.649 0.261 . . . . 0.0 110.4 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.402 ' O ' ' SD ' ' B' ' 1' ' ' MET . 8.3 tt0 -101.27 132.71 46.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.539 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.44 ' CE2' ' HE2' ' A' ' 50' ' ' LYS . 8.2 m-85 -115.45 145.93 42.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.97 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -98.62 107.9 20.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.795 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.481 ' O ' HG23 ' B' ' 16' ' ' THR . 59.7 t -97.7 120.41 46.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.052 0.453 . . . . 0.0 110.757 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 65.7 mt -101.34 116.97 45.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.884 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mt -97.74 87.25 3.99 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.608 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.4 t-20 -97.99 107.48 19.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.203 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.39 -167.8 14.87 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.371 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.431 ' N ' ' HE2' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -77.9 -57.05 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.855 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.429 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 7.0 p -105.95 5.39 30.44 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.199 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.482 ' HB3' ' CD1' ' A' ' 33' ' ' PHE . 23.9 tp -136.9 136.94 39.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.181 0.515 . . . . 0.0 111.485 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.417 ' HD3' ' N ' ' B' ' 13' ' ' LYS . 1.9 mppt? -144.35 144.66 31.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.094 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.477 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -176.1 -172.31 40.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 119.99 -1.1 . . . . 0.0 113.349 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -142.85 134.91 27.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.653 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.481 HG23 ' O ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -136.35 167.66 20.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.12 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 60.7 p -143.46 122.4 12.77 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.476 ' CA ' HD13 ' A' ' 12' ' ' LEU . 14.0 t -110.49 147.45 34.07 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.819 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -109.25 120.67 43.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.607 0.242 . . . . 0.0 110.582 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.98 150.41 32.81 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.215 0.531 . . . . 0.0 111.979 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 t -51.1 -27.06 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.863 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -154.88 176.34 12.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 111.361 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.409 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.35 -43.06 96.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.433 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -56.36 20.58 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 56.5 p -50.23 -45.91 54.34 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.59 -53.67 55.4 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.438 ' OE1' ' CE3' ' A' ' 43' ' ' TRP . 4.8 tp10 -49.9 -47.95 51.87 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.488 178.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -62.59 -45.25 93.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.196 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.428 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 87.7 t -55.23 -42.4 65.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.313 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.536 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 60.7 t -64.69 -48.44 84.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.302 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -53.41 -44.18 68.52 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.619 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -62.2 -39.17 91.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.536 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 56.4 t80 -52.66 -63.29 1.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.139 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -66.82 -38.03 85.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.719 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -52.56 -38.38 59.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.415 0.626 . . . . 0.0 109.91 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.9 -23.73 17.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.241 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.5 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.6 m-20 -81.51 -46.49 14.43 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.961 0.41 . . . . 0.0 110.299 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.67 -113.78 0.0 OUTLIER Glycine 0 CA--C 1.521 0.454 0 CA-C-N 115.03 -0.986 . . . . 0.0 115.34 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.418 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 21.5 t -111.15 5.15 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -176.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -125.3 10.85 8.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.681 -0.637 . . . . 0.0 112.037 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.27 170.51 53.64 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.486 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -97.61 104.27 16.28 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.436 ' CE3' ' OE1' ' A' ' 27' ' ' GLU . 9.4 m0 -102.77 123.88 47.27 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.756 0.651 . . . . 0.0 112.756 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 75.3 p -108.58 137.91 45.76 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 18.5 t80 -113.96 144.51 42.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.039 0.447 . . . . 0.0 112.117 -178.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.68 83.71 2.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.212 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.4 -36.69 22.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.497 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.89 -29.29 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.908 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 82.5 p -128.16 12.14 6.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.568 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.438 ' HE2' ' CE2' ' A' ' 3' ' ' TYR . 14.2 mmmm 49.25 33.12 4.83 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.852 0.358 . . . . 0.0 110.274 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.416 HG21 ' N ' ' B' ' 52' ' ' PHE . 94.6 m -117.89 144.16 45.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.3 -178.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.507 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 2.1 m-85 -115.59 141.83 47.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.465 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -118.68 123.63 45.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.06 0.457 . . . . 0.0 111.188 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.5 t -102.73 107.06 21.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.963 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.608 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 17.1 m -99.58 113.21 25.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.922 0.391 . . . . 0.0 111.402 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.914 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.422 ' HE3' ' CZ ' ' A' ' 3' ' ' TYR . 50.8 ttp . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.715 0.293 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -101.92 140.93 35.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.461 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.439 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 5.5 m-85 -125.5 146.07 49.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.51 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 15' ' ' GLU . 48.2 tttm -106.85 108.23 19.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.391 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.507 ' HB ' HG21 ' A' ' 16' ' ' THR . 57.9 t -94.66 116.78 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.423 0.63 . . . . 0.0 111.197 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' B' ' 53' ' ' THR . 87.9 mt -94.88 131.78 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.809 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mt -112.43 105.87 14.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.728 -179.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.526 ' O ' ' HA ' ' B' ' 55' ' ' THR . 5.4 m120 -110.98 109.95 20.3 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.43 -168.27 15.45 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.414 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -76.36 -55.72 5.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.914 0.388 . . . . 0.0 110.763 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.439 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 7.0 p -108.32 7.44 27.21 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.27 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.513 HD12 ' CA ' ' B' ' 18' ' ' THR . 27.4 tp -139.05 138.07 36.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.158 0.504 . . . . 0.0 111.617 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 7.2 mptt -144.86 145.98 31.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.248 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.58 -167.68 37.73 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.213 -0.994 . . . . 0.0 112.91 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.419 ' HB3' ' NZ ' ' A' ' 4' ' ' LYS . 38.7 mt-10 -150.33 146.4 26.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.931 0.396 . . . . 0.0 110.593 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.507 HG21 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -141.99 169.89 16.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.964 -179.02 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.0 p -141.66 119.91 12.22 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -178.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.516 ' CA ' HD12 ' B' ' 12' ' ' LEU . 13.5 t -106.9 142.68 36.15 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.998 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -102.05 112.22 24.79 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.02 149.97 35.13 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.427 0.632 . . . . 0.0 112.023 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.99 -27.23 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.125 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -155.26 176.91 11.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.856 0.36 . . . . 0.0 111.586 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.439 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -60.95 -42.96 99.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.314 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.91 -54.58 40.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.8 p -52.22 -45.98 65.48 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.91 -54.85 41.27 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.432 ' OE2' ' HG3' ' A' ' 31' ' ' LYS . 3.7 tm-20 -48.29 -49.34 34.15 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.472 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 4.3 mmmp? -62.31 -43.57 98.52 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.2 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.437 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 88.5 t -55.51 -39.59 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.134 0.492 . . . . 0.0 109.855 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.514 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 61.0 t -65.89 -49.14 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.436 178.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' HG3' ' OE2' ' A' ' 27' ' ' GLU . 86.0 mttt -52.37 -43.88 64.94 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.805 178.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -63.82 -38.61 91.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.514 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 49.7 t80 -53.56 -61.27 2.41 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.158 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.423 ' CE2' HG13 ' A' ' 30' ' ' VAL . 26.9 m-85 -68.52 -39.35 81.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.96 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -50.86 -38.81 51.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.383 0.611 . . . . 0.0 110.098 178.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -94.49 -23.53 17.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.021 -0.99 . . . . 0.0 112.44 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.471 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.5 m-20 -79.72 -46.28 17.36 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.561 -0.456 . . . . 0.0 109.808 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.06 -116.32 0.0 OUTLIER Glycine 0 C--N 1.333 0.383 0 CA-C-N 114.924 -1.034 . . . . 0.0 115.455 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.414 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 21.7 t -109.56 3.77 9.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -176.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.7 12.68 7.98 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.605 0.639 . . . . 0.0 111.955 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.12 169.5 54.03 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.57 -0.824 . . . . 0.0 113.334 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -93.36 99.59 12.08 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.834 0.35 . . . . 0.0 110.198 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.412 ' CZ3' HG11 ' B' ' 30' ' ' VAL . 11.9 m0 -99.67 121.33 41.07 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -178.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.8 p -110.13 137.68 47.54 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.503 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 7.6 t80 -112.64 144.17 42.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 111.727 -178.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -123.53 83.21 2.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.653 179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 15.8 m-20 -46.8 -35.07 5.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.581 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.94 -31.92 13.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.1 p -128.15 14.5 6.75 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm 48.56 36.29 7.29 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.623 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.438 ' CG2' HG13 ' B' ' 6' ' ' ILE . 94.5 m -124.05 140.57 52.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.406 -178.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 28.0 m-85 -108.23 142.09 39.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.536 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -117.22 122.98 45.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.139 0.495 . . . . 0.0 111.338 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.9 t -99.33 94.81 3.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.618 178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.528 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 9.6 m -85.75 108.31 18.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.082 0.468 . . . . 0.0 111.581 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.232 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.422 ' HE3' ' CZ ' ' B' ' 3' ' ' TYR . 50.7 ttp . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.752 0.311 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -101.87 141.01 35.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.391 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.43 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 5.2 m-85 -125.61 146.13 49.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.539 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.415 ' NZ ' ' OE1' ' B' ' 15' ' ' GLU . 48.2 tttm -106.94 108.17 19.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.305 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.509 ' HB ' HG21 ' B' ' 16' ' ' THR . 57.6 t -94.62 116.93 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.335 0.588 . . . . 0.0 111.261 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 53' ' ' THR . 87.6 mt -95.05 131.8 40.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.756 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mt -112.42 105.78 14.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.733 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.528 ' O ' ' HA ' ' A' ' 55' ' ' THR . 5.4 m120 -110.99 109.87 20.19 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.37 -168.22 15.46 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.489 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -76.36 -55.78 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 0.0 110.691 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.437 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 7.2 p -108.23 7.31 27.33 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.291 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.516 HD12 ' CA ' ' A' ' 18' ' ' THR . 27.5 tp -138.94 138.19 37.11 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.111 0.481 . . . . 0.0 111.719 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.403 ' HD2' ' C ' ' B' ' 12' ' ' LEU . 7.2 mptt -144.96 145.79 31.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.25 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.449 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.64 -167.64 37.64 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.298 -0.954 . . . . 0.0 112.965 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.415 ' OE1' ' NZ ' ' B' ' 4' ' ' LYS . 38.9 mt-10 -150.33 146.47 26.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.969 0.414 . . . . 0.0 110.568 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.509 HG21 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -142.07 169.85 16.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.005 -178.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 48.9 p -141.63 119.97 12.28 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.513 ' CA ' HD12 ' A' ' 12' ' ' LEU . 13.5 t -106.93 142.55 36.37 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.06 178.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -101.96 112.34 24.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.95 149.99 35.23 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 121.259 0.552 . . . . 0.0 112.061 -179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -51.07 -27.1 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.111 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -155.38 176.87 12.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.885 0.374 . . . . 0.0 111.481 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.43 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.88 -42.91 98.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.379 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.96 -54.68 38.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 61.8 p -52.22 -45.88 65.44 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.06 -54.75 42.24 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.436 ' OE2' ' HG3' ' B' ' 31' ' ' LYS . 3.7 tm-20 -48.31 -49.34 34.37 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.427 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.454 ' NZ ' ' HB3' ' B' ' 28' ' ' LYS . 4.2 mmmp? -62.33 -43.66 98.31 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.122 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.439 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 87.4 t -55.49 -39.59 54.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.117 0.484 . . . . 0.0 109.844 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.515 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 59.3 t -65.77 -49.26 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.475 178.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.436 ' HG3' ' OE2' ' B' ' 27' ' ' GLU . 86.0 mttt -52.23 -44.03 64.62 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.745 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -63.79 -38.55 91.51 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.515 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 50.1 t80 -53.57 -61.19 2.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.188 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.425 ' CE2' HG13 ' B' ' 30' ' ' VAL . 26.9 m-85 -68.7 -39.25 80.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.946 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.402 ' ND2' HG21 ' A' ' 39' ' ' VAL . 25.7 t-20 -50.81 -39.0 51.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.313 0.578 . . . . 0.0 110.058 178.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -94.28 -23.56 17.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.435 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.473 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.5 m-20 -79.77 -46.26 17.32 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.13 -116.3 0.0 OUTLIER Glycine 0 CA--C 1.52 0.392 0 CA-C-N 114.926 -1.034 . . . . 0.0 115.457 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.409 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 21.7 t -109.49 3.58 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -176.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.5 12.61 8.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 118.54 0.609 . . . . 0.0 111.95 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.1 169.39 53.99 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.323 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -93.34 99.44 11.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.111 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.408 ' CZ3' HG11 ' A' ' 30' ' ' VAL . 11.9 m0 -99.48 121.35 41.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -110.05 137.72 47.43 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 7.5 t80 -112.74 144.16 42.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.969 0.414 . . . . 0.0 111.67 -178.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -123.48 83.27 2.11 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.627 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.433 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 15.7 m-20 -46.71 -35.14 5.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.564 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.96 -31.86 13.58 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.9 p -128.11 14.44 6.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm 48.5 36.36 7.27 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 110.592 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.437 ' CG2' HG13 ' A' ' 6' ' ' ILE . 93.7 m -124.02 140.48 52.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.517 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.499 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 27.8 m-85 -108.22 142.08 39.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.509 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.484 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -117.16 123.15 46.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.107 0.48 . . . . 0.0 111.314 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.9 t -99.46 94.81 3.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.575 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.526 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 9.5 m -85.74 108.23 17.97 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.592 -178.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.226 -0.893 . . . . 0.0 111.106 179.907 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.45 ' HE3' ' NZ ' ' B' ' 50' ' ' LYS . 18.1 ttt . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.711 0.291 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -112.07 148.68 33.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.962 0.41 . . . . 0.0 111.229 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.455 ' CE2' ' CE ' ' B' ' 50' ' ' LYS . 7.2 m-85 -130.95 149.56 52.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.67 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -98.83 108.52 21.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.456 ' HB ' HG23 ' A' ' 16' ' ' THR . 60.9 t -96.15 128.03 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.905 0.384 . . . . 0.0 110.383 179.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.414 HG13 ' CG2' ' B' ' 51' ' ' THR . 71.8 mt -108.69 127.66 65.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.328 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.5 mt -107.44 95.55 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.284 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.745 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.3 m120 -103.24 107.95 18.97 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.194 -179.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.82 -169.54 16.89 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.281 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -78.01 -57.4 3.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.038 0.447 . . . . 0.0 110.573 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.42 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 4.0 p -104.53 4.33 32.89 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.198 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.507 HD11 ' CA ' ' B' ' 18' ' ' THR . 24.0 tp -137.22 137.14 38.79 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.992 0.425 . . . . 0.0 111.199 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -145.19 146.0 31.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.455 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.87 -169.06 39.75 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.075 -1.059 . . . . 0.0 113.21 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -143.52 153.37 42.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 0.0 110.739 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.482 ' HA ' ' HA3' ' B' ' 14' ' ' GLY . 0.0 OUTLIER -150.95 168.79 23.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.034 -179.601 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 74.5 p -143.26 121.19 12.02 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.516 ' CA ' HD11 ' B' ' 12' ' ' LEU . 14.2 t -107.79 142.65 37.5 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.94 178.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -103.18 115.75 31.18 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.84 151.27 34.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.261 0.553 . . . . 0.0 111.93 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.1 t -50.63 -25.44 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.946 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.409 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 57.5 p30 -158.71 175.68 13.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.791 0.329 . . . . 0.0 111.505 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.36 -43.0 83.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.754 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.04 -56.13 22.16 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.409 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 50.2 p -51.07 -45.77 61.52 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.9 -52.74 64.11 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 44.7 tt0 -52.78 -49.24 65.96 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.785 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -59.43 -43.0 93.19 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.693 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.421 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 98.2 t -56.37 -38.86 57.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.112 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 38.5 t -65.17 -48.44 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.693 179.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 1.1 mptm? -50.16 -44.79 52.86 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.746 0.308 . . . . 0.0 110.401 178.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -66.44 -39.38 88.85 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.499 ' CD2' ' ND2' ' A' ' 37' ' ' ASN . 66.3 t80 -53.45 -59.59 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.482 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.439 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 28.8 m-85 -71.23 -39.17 71.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.225 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -51.0 -38.54 51.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.432 0.634 . . . . 0.0 109.799 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.31 -25.7 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.815 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.499 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.6 m-20 -78.74 -45.56 20.89 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -3.67 -117.18 0.0 OUTLIER Glycine 0 CA--C 1.521 0.409 0 CA-C-N 114.575 -1.193 . . . . 0.0 115.719 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.1 t -83.77 -55.51 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 -175.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -91.55 27.24 2.05 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -177.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.69 144.08 46.4 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 119.997 -1.097 . . . . 0.0 112.325 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -73.7 91.74 1.92 Allowed 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.469 ' CH2' ' CG1' ' B' ' 30' ' ' VAL . 11.8 m0 -106.12 132.21 52.46 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -112.56 141.97 45.69 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.436 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 6.1 t80 -111.1 142.0 43.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.987 0.422 . . . . 0.0 111.544 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -123.32 83.21 2.1 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.608 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.42 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 14.0 m-20 -48.22 -37.14 15.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.352 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.49 -32.26 17.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.952 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.3 p -122.7 12.41 9.89 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' CE ' ' CE2' ' B' ' 3' ' ' TYR . 7.2 mmmm 49.76 34.94 8.13 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.707 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.415 ' CG2' HG13 ' B' ' 6' ' ' ILE . 94.9 m -125.73 144.11 50.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.111 0.482 . . . . 0.0 111.953 -178.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.9 m-85 -110.37 144.52 39.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.502 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -122.14 124.45 43.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.343 0.592 . . . . 0.0 111.871 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.405 HG22 ' CD2' ' A' ' 43' ' ' TRP . 61.5 t -104.59 113.05 40.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.72 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.737 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 3.2 m -108.61 119.39 39.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.097 0.475 . . . . 0.0 111.512 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.994 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.45 ' HE3' ' NZ ' ' A' ' 50' ' ' LYS . 18.1 ttt . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 120.649 0.261 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -111.97 148.71 33.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.984 0.421 . . . . 0.0 111.251 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.453 ' CE2' ' CE ' ' A' ' 50' ' ' LYS . 7.0 m-85 -131.03 149.67 52.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.723 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 51' ' ' THR . 17.5 tppt? -99.0 108.59 21.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.456 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.3 t -96.31 128.07 47.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.987 0.423 . . . . 0.0 110.257 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.415 HG13 ' CG2' ' A' ' 51' ' ' THR . 72.0 mt -108.8 127.64 65.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.264 -179.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.5 mt -107.46 95.47 5.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.254 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.737 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.3 m120 -103.17 107.98 19.0 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.201 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.86 -169.5 16.85 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.335 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -78.07 -57.35 3.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.966 0.412 . . . . 0.0 110.582 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.421 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 4.0 p -104.58 4.37 32.79 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.242 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.516 HD11 ' CA ' ' A' ' 18' ' ' THR . 24.0 tp -137.28 137.16 38.7 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.126 0.489 . . . . 0.0 111.17 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -145.2 145.92 31.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.49 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.482 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.78 -169.04 39.77 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.082 -1.056 . . . . 0.0 113.26 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -143.56 153.3 42.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.606 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.479 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -150.88 168.87 23.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.126 -179.69 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 75.6 p -143.35 121.14 11.92 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.507 ' CA ' HD11 ' A' ' 12' ' ' LEU . 14.3 t -107.8 142.64 37.52 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.879 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -103.17 115.79 31.25 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.85 151.19 34.3 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.177 0.513 . . . . 0.0 112.028 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 30.8 t -50.59 -25.52 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.996 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.415 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 57.6 p30 -158.64 175.7 13.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.815 0.34 . . . . 0.0 111.481 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.34 -42.9 82.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.823 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 -56.09 22.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.415 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 51.1 p -50.96 -45.95 60.95 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.74 -52.82 63.84 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.065 -0.716 . . . . 0.0 109.065 178.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.464 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 44.7 tt0 -52.64 -49.34 65.37 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.783 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -59.53 -42.92 93.4 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.42 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 98.0 t -56.42 -38.87 57.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.138 179.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.469 ' CG1' ' CH2' ' A' ' 43' ' ' TRP . 38.4 t -65.2 -48.35 83.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.688 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.464 ' HD3' ' O ' ' B' ' 27' ' ' GLU . 1.1 mptm? -50.19 -44.8 53.16 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.844 0.354 . . . . 0.0 110.445 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -66.45 -39.3 88.79 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.499 ' CD2' ' ND2' ' B' ' 37' ' ' ASN . 66.1 t80 -53.49 -59.56 4.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.501 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.44 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 28.7 m-85 -71.3 -39.11 71.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.207 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -50.89 -38.61 50.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.387 0.613 . . . . 0.0 109.896 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.28 -25.67 16.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.825 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.499 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.7 m-20 -78.87 -45.26 21.06 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -3.78 -117.27 0.0 OUTLIER Glycine 0 C--N 1.333 0.404 0 CA-C-N 114.624 -1.171 . . . . 0.0 115.746 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 88.2 t -83.57 -55.6 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 -175.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -91.62 27.22 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.54 144.11 46.68 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.032 -1.08 . . . . 0.0 112.374 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -73.86 91.68 1.99 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.461 ' CH2' ' CG1' ' A' ' 30' ' ' VAL . 11.9 m0 -106.06 132.21 52.42 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 72.2 p -112.53 141.85 45.8 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.433 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 6.1 t80 -110.89 142.01 43.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 111.661 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -123.36 83.18 2.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.661 179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.423 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 14.2 m-20 -48.3 -37.02 15.37 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.3 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.58 -32.22 18.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.008 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.5 p -122.68 12.44 9.91 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.455 ' CE ' ' CE2' ' A' ' 3' ' ' TYR . 7.2 mmmm 49.87 34.86 8.32 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.744 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.414 ' CG2' HG13 ' A' ' 6' ' ' ILE . 94.2 m -125.69 143.94 50.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.119 0.485 . . . . 0.0 111.927 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' B' ' 52' ' ' PHE . 1.9 m-85 -110.26 144.44 38.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.638 178.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -122.11 124.58 44.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.358 0.599 . . . . 0.0 111.723 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.407 HG22 ' CD2' ' B' ' 43' ' ' TRP . 61.1 t -104.6 113.2 40.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.666 178.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.745 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 3.2 m -108.67 119.39 39.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.033 0.444 . . . . 0.0 111.52 -178.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.025 -179.844 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.8 mtp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.938 0.399 . . . . 0.0 111.716 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -102.45 140.42 36.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.341 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -124.51 146.38 49.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.127 0.489 . . . . 0.0 111.735 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' B' ' 51' ' ' THR . 17.6 tppt? -98.95 104.87 16.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.565 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.562 ' HB ' HG21 ' A' ' 16' ' ' THR . 73.8 t -94.54 112.12 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.448 0.642 . . . . 0.0 110.749 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.464 ' O ' ' HA ' ' B' ' 53' ' ' THR . 68.1 mt -94.83 128.77 45.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.615 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.439 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 15.2 mt -110.02 105.31 14.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.126 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.72 ' O ' ' HA ' ' B' ' 55' ' ' THR . 5.3 m120 -109.27 108.77 19.49 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.42 -171.26 17.76 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.816 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -77.18 -52.47 9.19 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.959 0.409 . . . . 0.0 110.308 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.48 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 7.8 p -108.12 5.24 25.76 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.453 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.491 HD13 ' CA ' ' B' ' 18' ' ' THR . 24.3 tp -137.41 138.33 39.73 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.093 0.473 . . . . 0.0 111.625 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 1.9 mppt? -143.9 143.16 31.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.922 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.67 -176.73 44.15 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 119.989 -1.1 . . . . 0.0 113.586 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -139.23 137.1 35.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.826 0.346 . . . . 0.0 110.131 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.562 HG21 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -137.12 167.64 21.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.408 ' CG2' ' NZ ' ' A' ' 4' ' ' LYS . 73.2 p -143.69 119.85 10.79 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -178.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.501 ' CA ' HD13 ' B' ' 12' ' ' LEU . 12.6 t -107.65 145.24 33.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.529 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -105.86 116.72 32.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.08 152.29 35.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.312 0.577 . . . . 0.0 111.887 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.2 t -51.22 -37.78 18.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.018 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.451 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 5.8 p-10 -144.35 170.52 15.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.838 0.351 . . . . 0.0 111.594 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.3 -42.05 85.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.126 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.14 -55.95 20.89 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.451 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 26.0 p -52.82 -43.93 66.32 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.276 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.87 -52.46 64.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -50.49 -47.69 57.11 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.347 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -62.76 -45.65 91.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.069 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.482 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 87.3 t -58.41 -39.77 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.03 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.551 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 45.6 t -68.18 -50.0 62.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HA ' ' CH2' ' B' ' 43' ' ' TRP . 29.2 mtpp -51.45 -43.19 62.01 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.53 -36.6 76.44 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.551 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 49.9 t80 -53.82 -63.43 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.115 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -67.71 -39.73 84.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.702 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.436 ' ND2' HG21 ' B' ' 39' ' ' VAL . 34.6 t-20 -49.79 -39.2 37.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.539 0.685 . . . . 0.0 109.663 178.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -94.62 -24.14 17.32 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.858 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.492 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.1 m-20 -79.28 -43.03 24.47 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.035 0.445 . . . . 0.0 110.515 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.44 -114.76 0.0 OUTLIER Glycine 0 CA--C 1.521 0.435 0 CA-C-N 114.746 -1.116 . . . . 0.0 115.491 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.432 HG21 ' ND2' ' B' ' 35' ' ' ASN . 71.7 t -86.05 -55.18 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 -175.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -87.87 25.09 1.6 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.85 165.31 52.9 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 119.611 -1.281 . . . . 0.0 111.417 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -88.66 93.18 9.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.343 0.572 . . . . 0.0 110.619 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.404 ' CH2' ' HA ' ' B' ' 31' ' ' LYS . 11.5 m95 -93.97 114.4 26.59 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.2 p -109.34 138.21 46.04 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.514 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 8.7 t80 -113.43 144.01 43.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 111.812 -178.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -123.58 83.84 2.19 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.468 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.415 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 12.6 m-20 -45.68 -35.37 4.12 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.723 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.04 -34.27 20.9 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.1 p -128.2 13.72 6.68 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp 51.69 30.38 6.69 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.881 0.372 . . . . 0.0 110.254 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 95.4 m -113.02 148.75 34.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.925 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.514 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 2.7 m-85 -120.04 139.0 53.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.469 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 3.0 p -115.38 123.22 48.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.136 0.493 . . . . 0.0 111.062 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -105.56 106.71 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.677 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.713 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 36.8 m -100.36 116.31 32.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.76 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.856 -179.277 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 88.8 mtp . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 121.049 0.452 . . . . 0.0 111.744 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -102.47 140.51 36.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.34 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -124.61 146.36 49.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.183 0.516 . . . . 0.0 111.564 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 51' ' ' THR . 17.6 tppt? -98.92 104.92 17.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.528 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.571 ' HB ' HG21 ' B' ' 16' ' ' THR . 73.0 t -94.53 112.13 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.379 0.609 . . . . 0.0 110.721 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' A' ' 53' ' ' THR . 68.5 mt -94.88 128.76 45.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.683 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 15.2 mt -109.95 105.29 14.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.237 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.713 ' O ' ' HA ' ' A' ' 55' ' ' THR . 5.4 m120 -109.18 108.7 19.44 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.41 -171.25 17.76 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.334 -0.936 . . . . 0.0 111.784 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -77.1 -52.6 9.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.952 0.406 . . . . 0.0 110.343 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.482 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 7.8 p -107.97 5.32 26.12 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.518 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.501 HD13 ' CA ' ' A' ' 18' ' ' THR . 24.2 tp -137.45 138.19 39.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.145 0.497 . . . . 0.0 111.714 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.424 ' HD3' ' N ' ' B' ' 13' ' ' LYS . 1.9 mppt? -143.85 143.08 31.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.93 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.457 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.63 -176.74 44.12 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 119.979 -1.105 . . . . 0.0 113.436 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -139.15 137.05 35.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.777 0.322 . . . . 0.0 110.175 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.571 HG21 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -137.11 167.62 21.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.403 ' CG2' ' NZ ' ' B' ' 4' ' ' LYS . 73.2 p -143.72 119.94 10.83 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.491 ' CA ' HD13 ' A' ' 12' ' ' LEU . 12.7 t -107.7 145.24 33.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.481 178.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -105.95 116.63 32.27 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.94 152.18 35.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.289 0.566 . . . . 0.0 112.0 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -51.12 -37.7 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.102 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.447 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 5.7 p-10 -144.45 170.45 16.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.977 0.418 . . . . 0.0 111.522 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.23 -42.04 85.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.227 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.1 -55.87 21.68 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.447 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 26.5 p -52.96 -43.97 66.78 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.73 -52.46 65.03 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -50.65 -47.66 58.52 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.281 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -62.66 -45.67 91.75 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.068 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.48 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 86.4 t -58.47 -39.65 75.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.127 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.547 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 45.7 t -68.21 -50.08 61.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.404 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . 29.2 mtpp -51.5 -43.04 62.1 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.976 0.417 . . . . 0.0 109.988 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.8 -36.41 76.68 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.547 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 49.4 t80 -53.95 -63.28 1.2 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.167 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -67.71 -39.59 84.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.746 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.432 ' ND2' HG21 ' A' ' 39' ' ' VAL . 34.8 t-20 -50.06 -39.04 40.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.56 0.695 . . . . 0.0 109.616 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -94.68 -24.17 17.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 114.637 -1.165 . . . . 0.0 112.707 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.487 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.1 m-20 -79.49 -43.06 23.92 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.909 0.385 . . . . 0.0 110.386 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.28 -114.7 0.0 OUTLIER Glycine 0 CA--C 1.523 0.545 0 CA-C-N 114.883 -1.053 . . . . 0.0 115.501 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.436 HG21 ' ND2' ' A' ' 35' ' ' ASN . 72.8 t -86.06 -55.31 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -175.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -87.76 25.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -176.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.78 165.34 52.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 119.757 -1.211 . . . . 0.0 111.302 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -88.93 93.41 9.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.233 0.517 . . . . 0.0 110.673 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.41 ' CH2' ' HA ' ' A' ' 31' ' ' LYS . 11.3 m95 -94.05 114.31 26.45 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 59.7 p -109.26 138.19 45.99 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.514 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 8.7 t80 -113.43 143.96 43.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.394 . . . . 0.0 111.842 -178.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -123.5 83.74 2.18 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.524 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.421 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 12.6 m-20 -45.63 -35.31 3.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.769 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.14 -34.22 21.51 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.5 p -128.2 13.66 6.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp 51.68 30.53 6.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.912 0.386 . . . . 0.0 110.157 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 95.0 m -113.08 148.78 34.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.878 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.514 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 2.8 m-85 -120.09 138.92 53.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.431 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.464 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.0 p -115.3 123.13 47.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.013 0.435 . . . . 0.0 111.125 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.9 t -105.55 106.86 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.65 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.72 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 38.6 m -100.45 116.38 32.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.676 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.817 -179.362 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.0 ttm . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.928 0.395 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -101.02 139.59 36.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.886 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.643 ' CE2' ' NZ ' ' B' ' 50' ' ' LYS . 36.7 m-85 -120.69 142.75 49.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.012 0.434 . . . . 0.0 111.459 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.56 ' HE2' ' HB3' ' A' ' 15' ' ' GLU . 22.6 tptm -99.25 103.76 15.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.347 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.58 ' HB ' HG23 ' A' ' 16' ' ' THR . 98.4 t -94.91 123.58 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.331 0.586 . . . . 0.0 111.652 -178.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.42 HG13 ' CG2' ' B' ' 51' ' ' THR . 13.8 mt -102.67 124.86 56.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.547 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.462 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.9 mt -103.15 84.5 2.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.609 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.483 ' O ' ' HA ' ' B' ' 55' ' ' THR . 34.9 t-20 -91.3 106.98 18.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.817 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.43 -167.36 14.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.697 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.523 ' HA ' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -82.43 -58.04 3.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.191 0.519 . . . . 0.0 110.147 179.549 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.438 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 3.1 p -100.19 0.23 40.05 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.475 HD11 ' OG1' ' B' ' 16' ' ' THR . 14.3 tp -139.32 138.03 36.33 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.334 0.587 . . . . 0.0 111.641 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' NZ ' ' ND2' ' A' ' 8' ' ' ASN . 27.3 mtpp -145.27 147.41 32.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.322 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -173.42 -173.26 39.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 119.337 -1.411 . . . . 0.0 114.572 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.56 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 56.0 mm-40 -138.59 126.34 22.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.898 -0.651 . . . . 0.0 110.02 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.58 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -134.34 167.12 21.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.276 -179.511 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 59.2 p -143.42 118.99 10.37 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.47 ' CA ' HD13 ' B' ' 12' ' ' LEU . 11.5 t -108.89 144.33 36.94 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.841 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -103.54 115.52 30.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.52 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.445 ' HB2' ' HA ' ' A' ' 26' ' ' ALA . . . -147.51 148.65 31.42 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 121.121 0.486 . . . . 0.0 111.796 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 t -50.88 -28.2 6.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.038 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -154.48 175.5 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 111.306 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.434 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -60.36 -42.97 96.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.406 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.416 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -63.08 -55.12 28.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.4 p -50.89 -45.51 60.13 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.445 ' HA ' ' HB2' ' A' ' 20' ' ' ALA . . . -60.18 -52.06 66.91 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.319 178.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -53.3 -45.46 68.96 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.419 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 73.8 mmtt -65.57 -47.53 75.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.316 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.437 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 90.6 t -56.81 -41.36 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.048 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.524 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 40.8 t -64.61 -46.65 91.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.446 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 9.4 mtpm? -49.7 -45.11 48.57 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-O 121.099 0.476 . . . . 0.0 110.064 178.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.43 -36.49 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.229 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.524 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 34.5 t80 -54.5 -62.39 1.69 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.227 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.476 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 23.9 m-85 -68.09 -39.5 82.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.545 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -50.07 -39.44 42.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.595 0.712 . . . . 0.0 109.848 178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -94.89 -23.02 17.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.715 -1.13 . . . . 0.0 112.614 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.477 ' O ' ' C ' ' A' ' 38' ' ' GLY . 88.0 m-20 -79.98 -46.34 16.83 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.988 0.423 . . . . 0.0 109.958 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.95 -116.54 0.0 OUTLIER Glycine 0 C--N 1.332 0.341 0 CA-C-N 114.755 -1.111 . . . . 0.0 115.402 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.428 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 39.7 t -106.53 2.65 10.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -176.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -125.28 15.48 8.35 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 118.811 0.732 . . . . 0.0 112.021 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.6 172.92 52.49 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.49 -0.862 . . . . 0.0 113.152 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -98.07 100.68 12.02 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 110.428 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 8.3 m95 -96.46 118.69 33.51 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.1 p -109.21 136.14 49.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.887 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 20.4 t80 -107.34 144.78 33.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.935 0.398 . . . . 0.0 111.936 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -122.85 81.69 1.9 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.578 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.39 -36.34 9.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.792 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.66 -33.67 16.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.876 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.4 p -128.28 15.48 6.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.569 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.643 ' NZ ' ' CE2' ' B' ' 3' ' ' TYR . 0.4 OUTLIER 50.87 32.24 7.06 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 -179.605 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.554 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 97.3 m -107.43 148.26 29.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.237 -178.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.522 ' CE1' ' CD1' ' A' ' 45' ' ' TYR . 88.8 m-85 -114.87 118.04 32.41 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.869 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -101.99 123.35 45.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.337 0.589 . . . . 0.0 111.477 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.6 t -108.59 105.61 19.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.494 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 18.6 m -98.44 118.15 34.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.987 0.422 . . . . 0.0 111.654 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.105 179.893 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 55.6 ttm . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.939 0.399 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -101.01 139.48 36.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.97 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.643 ' CE2' ' NZ ' ' A' ' 50' ' ' LYS . 36.6 m-85 -120.64 142.68 49.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.05 0.453 . . . . 0.0 111.523 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.562 ' HE2' ' HB3' ' B' ' 15' ' ' GLU . 22.5 tptm -99.14 103.66 15.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.351 179.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.573 ' HB ' HG23 ' B' ' 16' ' ' THR . 98.5 t -94.9 123.73 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.366 0.603 . . . . 0.0 111.689 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' PHE . 13.6 mt -102.83 124.85 57.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.44 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.0 mt -103.15 84.51 2.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.522 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.49 ' O ' ' HA ' ' A' ' 55' ' ' THR . 34.7 t-20 -91.23 106.97 18.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.893 -178.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.48 -167.39 14.29 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.677 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.522 ' HA ' ' NZ ' ' B' ' 10' ' ' LYS . 0.0 OUTLIER -82.39 -58.08 3.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.203 0.525 . . . . 0.0 110.156 179.617 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.437 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 3.0 p -100.24 0.2 39.87 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.474 HD11 ' OG1' ' A' ' 16' ' ' THR . 14.4 tp -139.19 137.98 36.51 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.219 0.533 . . . . 0.0 111.733 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.412 ' NZ ' ' ND2' ' B' ' 8' ' ' ASN . 27.3 mtpp -145.3 147.43 32.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.411 179.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.427 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -173.44 -173.25 39.58 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 119.248 -1.453 . . . . 0.0 114.467 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.562 ' HB3' ' HE2' ' B' ' 4' ' ' LYS . 56.0 mm-40 -138.67 126.34 22.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.796 -0.702 . . . . 0.0 109.977 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.573 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -134.33 167.14 21.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.263 -179.485 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 58.6 p -143.46 118.99 10.34 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.471 ' CA ' HD13 ' A' ' 12' ' ' LEU . 11.4 t -108.92 144.32 37.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.773 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -103.59 115.59 30.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.477 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.435 ' HB2' ' HA ' ' B' ' 26' ' ' ALA . . . -147.57 148.7 31.43 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 121.166 0.508 . . . . 0.0 111.791 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 25.4 t -50.76 -28.31 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.013 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -154.48 175.46 13.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.882 0.372 . . . . 0.0 111.297 179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.431 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.36 -42.92 96.77 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.481 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . 0.422 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -63.06 -55.19 27.65 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 42.9 p -50.93 -45.53 60.51 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.435 ' HA ' ' HB2' ' B' ' 20' ' ' ALA . . . -60.18 -52.04 67.01 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -53.22 -45.65 68.75 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.419 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.422 ' HG2' ' O ' ' B' ' 24' ' ' ALA . 73.8 mmtt -65.41 -47.64 75.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.331 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.438 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 90.6 t -56.65 -41.39 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.114 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.521 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 40.9 t -64.6 -46.75 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.443 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 9.4 mtpm? -49.62 -45.1 47.79 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 121.126 0.488 . . . . 0.0 110.129 178.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.44 -36.48 76.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.225 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.521 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 34.4 t80 -54.62 -62.37 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.201 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.476 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 23.9 m-85 -67.9 -39.69 83.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.595 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.9 t-20 -50.04 -39.45 41.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.565 0.698 . . . . 0.0 109.865 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -94.86 -22.98 17.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.567 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.479 ' O ' ' C ' ' B' ' 38' ' ' GLY . 88.0 m-20 -79.95 -46.31 16.95 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.948 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.93 -116.53 0.0 OUTLIER Glycine 0 C--N 1.332 0.357 0 CA-C-N 114.723 -1.126 . . . . 0.0 115.39 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.419 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 40.0 t -106.59 2.68 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -176.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -125.19 15.21 8.41 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.548 -0.72 . . . . 0.0 112.009 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.24 173.2 53.07 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.467 -0.873 . . . . 0.0 113.185 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -98.31 100.79 12.1 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.413 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 8.2 m95 -96.59 118.63 33.48 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 59.4 p -109.22 136.07 49.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.884 178.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.522 ' CD1' ' CE1' ' B' ' 52' ' ' PHE . 20.3 t80 -107.35 144.84 33.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.004 0.431 . . . . 0.0 111.829 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.0 81.61 1.89 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.471 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.24 -36.36 8.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.784 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.62 -33.65 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.0 p -128.27 15.5 6.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.673 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.643 ' NZ ' ' CE2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER 50.87 32.28 7.09 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.598 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.549 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 97.3 m -107.39 148.33 29.23 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.188 -178.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.522 ' CE1' ' CD1' ' B' ' 45' ' ' TYR . 88.4 m-85 -114.94 118.15 32.64 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.845 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -101.86 123.27 45.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.28 0.562 . . . . 0.0 111.479 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.6 t -108.71 105.61 19.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.471 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 18.5 m -98.29 118.16 34.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.871 0.367 . . . . 0.0 111.578 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.948 179.919 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.461 ' HG3' ' CE1' ' A' ' 3' ' ' TYR . 55.2 tpp . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.983 0.42 . . . . 0.0 111.522 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -101.71 140.33 36.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.835 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.461 ' CE1' ' HG3' ' A' ' 1' ' ' MET . 63.3 m-85 -125.78 142.03 51.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.89 0.376 . . . . 0.0 110.977 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' B' ' 51' ' ' THR . 24.8 ttmm -109.77 111.58 23.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.593 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.54 ' HB ' HG23 ' A' ' 16' ' ' THR . 51.8 t -94.29 125.09 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.154 0.502 . . . . 0.0 111.008 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.468 HG13 ' CG2' ' B' ' 51' ' ' THR . 75.9 mt -94.92 122.67 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.584 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.416 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.5 mt -102.97 83.67 2.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.331 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.719 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.6 m120 -92.25 106.91 18.82 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.164 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.02 -171.62 18.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.074 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -78.69 -55.13 5.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.872 0.368 . . . . 0.0 110.466 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.438 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 7.7 p -105.41 3.33 29.56 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.936 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.511 ' HB3' ' CD1' ' B' ' 33' ' ' PHE . 18.6 tp -137.77 138.61 39.43 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.04 0.448 . . . . 0.0 111.263 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -145.11 145.08 31.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.23 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.461 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.19 -177.2 44.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.031 -1.081 . . . . 0.0 113.482 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -138.9 136.02 35.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.265 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.54 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -134.41 165.65 24.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.069 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.3 p -143.47 119.19 10.48 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.483 ' CA ' HD12 ' B' ' 12' ' ' LEU . 12.0 t -107.38 145.64 32.65 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.373 178.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -107.99 118.93 38.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.581 0.229 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.402 ' CB ' ' N ' ' A' ' 26' ' ' ALA . . . -149.07 152.04 35.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.211 0.529 . . . . 0.0 111.968 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.88 -27.67 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.753 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.443 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 6.4 p-10 -153.39 174.79 13.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 111.542 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.414 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -59.22 -42.91 92.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.255 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.86 -55.31 31.15 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.443 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 34.1 p -52.14 -45.19 64.9 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.402 ' N ' ' CB ' ' A' ' 20' ' ' ALA . . . -60.26 -53.43 57.76 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -50.3 -50.22 51.29 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.918 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -57.24 -38.84 74.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.994 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.44 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 93.4 t -57.93 -39.74 73.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.483 ' CG1' ' CH2' ' B' ' 43' ' ' TRP . 43.1 t -63.96 -48.15 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.463 ' HD2' ' CZ3' ' B' ' 43' ' ' TRP . 1.0 OUTLIER -46.58 -42.92 16.74 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.675 179.094 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -72.88 -36.46 67.36 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' B' ' 12' ' ' LEU . 49.6 t80 -55.75 -57.24 12.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.771 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.47 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 25.1 m-85 -73.39 -40.66 64.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.528 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -49.84 -37.61 31.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.397 0.618 . . . . 0.0 110.045 178.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.5 -22.81 18.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.608 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.47 ' O ' ' C ' ' A' ' 38' ' ' GLY . 85.0 m-20 -79.62 -46.87 16.42 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 120.272 -0.571 . . . . 0.0 109.466 178.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.33 -120.66 0.0 OUTLIER Glycine 0 C--N 1.334 0.454 0 CA-C-N 114.967 -1.015 . . . . 0.0 115.621 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 27.0 t -111.62 3.8 8.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -176.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -125.16 13.33 8.34 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.836 -0.54 . . . . 0.0 112.003 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.67 176.03 53.41 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.992 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -97.78 101.04 12.45 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.781 0.324 . . . . 0.0 110.138 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.486 ' CH2' ' CG1' ' B' ' 30' ' ' VAL . 14.4 m0 -98.52 120.86 39.67 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -178.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.9 p -103.34 134.11 47.28 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.506 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 11.3 t80 -106.35 140.1 39.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.894 0.378 . . . . 0.0 111.511 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -123.26 81.41 1.88 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.558 179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.23 -35.46 12.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.438 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.92 -31.08 11.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.97 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.4 p -126.97 14.55 7.37 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 48.95 38.48 12.46 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.066 0.46 . . . . 0.0 110.384 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.466 ' CG2' HG13 ' B' ' 6' ' ' ILE . 97.4 m -121.58 141.64 50.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.475 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.506 ' CE1' ' CD1' ' A' ' 45' ' ' TYR . 96.4 m-85 -108.91 95.54 5.72 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-O 121.334 0.588 . . . . 0.0 111.879 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.4 ' CG2' ' HB ' ' B' ' 6' ' ' ILE . 2.5 p -76.59 130.12 37.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.693 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.411 HG22 ' CG ' ' A' ' 43' ' ' TRP . 61.2 t -122.14 127.53 75.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.385 178.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.71 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 5.6 m -116.27 124.16 49.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.019 0.438 . . . . 0.0 111.678 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.887 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.454 ' HG3' ' CE1' ' B' ' 3' ' ' TYR . 55.0 tpp . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.986 0.422 . . . . 0.0 111.459 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -101.73 140.21 36.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.829 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.454 ' CE1' ' HG3' ' B' ' 1' ' ' MET . 63.7 m-85 -125.67 142.01 51.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.794 0.33 . . . . 0.0 111.053 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 51' ' ' THR . 24.8 ttmm -109.76 111.57 23.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.562 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.535 ' HB ' HG23 ' B' ' 16' ' ' THR . 51.1 t -94.29 125.12 46.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.246 0.546 . . . . 0.0 111.015 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.466 HG13 ' CG2' ' A' ' 51' ' ' THR . 75.6 mt -94.94 122.75 46.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.575 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mt -102.98 83.69 2.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.287 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.71 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.6 m120 -92.26 106.96 18.86 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.092 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.1 -171.65 18.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.96 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -78.64 -55.05 5.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.924 0.392 . . . . 0.0 110.562 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.44 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 7.7 p -105.46 3.36 29.46 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.953 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.516 ' HB3' ' CD1' ' A' ' 33' ' ' PHE . 18.9 tp -137.82 138.66 39.41 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.051 0.453 . . . . 0.0 111.252 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -145.15 145.07 31.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.228 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.463 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.13 -177.14 43.99 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 119.98 -1.105 . . . . 0.0 113.475 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -138.87 136.14 35.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.918 0.39 . . . . 0.0 110.239 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.535 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -134.52 165.66 24.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.99 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 69.1 p -143.49 119.18 10.46 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.475 ' CA ' HD12 ' A' ' 12' ' ' LEU . 12.0 t -107.39 145.71 32.59 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.368 178.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -108.07 118.96 38.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.663 0.268 . . . . 0.0 110.759 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.1 152.0 35.4 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 121.204 0.526 . . . . 0.0 111.964 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.88 -27.62 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.691 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.445 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 6.5 p-10 -153.42 174.76 13.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.998 0.428 . . . . 0.0 111.47 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.416 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -59.21 -42.93 92.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.353 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.93 -55.16 32.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.045 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.445 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 34.2 p -52.18 -45.09 65.01 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 178.389 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.41 -53.41 57.89 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -50.2 -50.28 49.94 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.972 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -57.13 -38.84 74.06 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.066 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.438 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 93.7 t -57.99 -39.7 73.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.486 ' CG1' ' CH2' ' A' ' 43' ' ' TRP . 43.0 t -63.94 -48.23 87.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.46 ' HD2' ' CZ3' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -46.67 -42.82 17.01 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.72 179.173 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -72.83 -36.49 67.49 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.511 ' CD1' ' HB3' ' A' ' 12' ' ' LEU . 49.9 t80 -55.77 -57.26 12.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.792 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.468 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 25.2 m-85 -73.31 -40.69 64.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.629 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -49.77 -37.63 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.346 0.593 . . . . 0.0 110.027 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.49 -22.8 18.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.08 -0.964 . . . . 0.0 112.551 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 85.0 m-20 -79.73 -46.81 16.37 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.459 178.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.37 -120.65 0.0 OUTLIER Glycine 0 C--N 1.334 0.435 0 CA-C-N 114.986 -1.006 . . . . 0.0 115.562 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.421 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 26.9 t -111.63 3.9 8.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -176.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -125.25 13.22 8.28 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 121.789 -0.569 . . . . 0.0 111.985 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.61 175.98 53.45 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.078 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -97.73 101.03 12.43 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.483 ' CH2' ' CG1' ' A' ' 30' ' ' VAL . 14.5 m0 -98.49 120.93 39.77 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 66.4 p -103.36 134.1 47.31 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.503 ' CD1' ' CE1' ' B' ' 52' ' ' PHE . 11.1 t80 -106.31 140.11 39.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.382 . . . . 0.0 111.488 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -123.22 81.41 1.88 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.587 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.32 -35.44 12.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.43 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.98 -30.94 11.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.899 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.9 p -127.02 14.58 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 48.98 38.47 12.54 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.035 0.445 . . . . 0.0 110.437 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.468 ' CG2' HG13 ' A' ' 6' ' ' ILE . 99.6 m -121.47 141.65 50.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.516 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.503 ' CE1' ' CD1' ' B' ' 45' ' ' TYR . 96.5 m-85 -108.94 95.5 5.69 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.339 0.59 . . . . 0.0 111.851 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.4 ' CG2' ' HB ' ' A' ' 6' ' ' ILE . 2.6 p -76.5 130.14 37.52 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.719 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.404 HG22 ' CG ' ' B' ' 43' ' ' TRP . 60.2 t -122.13 127.49 75.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.491 178.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.719 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 5.6 m -116.31 124.17 49.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.028 0.442 . . . . 0.0 111.613 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.884 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.44 ' HE3' ' CZ ' ' A' ' 3' ' ' TYR . 43.9 ttp . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.659 0.266 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -109.89 149.3 30.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.824 0.345 . . . . 0.0 110.601 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.44 ' CZ ' ' HE3' ' A' ' 1' ' ' MET . 4.6 m-85 -133.95 151.75 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.6 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' B' ' 51' ' ' THR . 39.1 ttpt -101.39 108.3 19.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.392 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.508 ' HB ' HG21 ' A' ' 16' ' ' THR . 67.3 t -94.75 111.82 26.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.42 0.629 . . . . 0.0 110.957 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.484 ' N ' ' O ' ' B' ' 52' ' ' PHE . 69.9 mt -94.68 131.43 41.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.233 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 14.7 mt -111.24 103.35 11.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.495 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.606 ' O ' ' HA ' ' B' ' 55' ' ' THR . 5.2 m120 -106.99 108.9 20.63 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -178.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.19 -170.74 17.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.919 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 4.0 mptp? -78.0 -54.81 5.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.898 0.38 . . . . 0.0 110.679 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.428 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 9.2 p -104.62 4.54 32.86 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.342 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.521 HD13 ' CA ' ' B' ' 18' ' ' THR . 23.6 tp -138.66 138.58 37.92 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.147 0.499 . . . . 0.0 111.65 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 1.7 mppt? -144.89 145.41 31.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.049 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -177.63 -170.77 40.35 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 119.98 -1.105 . . . . 0.0 113.464 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -145.27 140.82 28.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.772 0.32 . . . . 0.0 110.498 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.508 HG21 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -141.56 169.32 17.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.573 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.4 p -143.19 120.07 11.28 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.527 ' CA ' HD13 ' B' ' 12' ' ' LEU . 15.3 t -107.16 142.56 36.68 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.047 179.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -98.19 110.18 22.81 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.73 147.86 32.38 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.137 0.494 . . . . 0.0 111.952 -179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.0 t -50.89 -28.04 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.987 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 58.1 p30 -158.13 177.81 10.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.954 0.407 . . . . 0.0 111.584 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.87 91.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.511 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.43 -55.65 28.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.116 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.4 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 46.5 p -51.3 -45.54 62.22 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.11 -53.85 53.7 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' OE2' ' CE3' ' B' ' 43' ' ' TRP . 40.4 tp10 -48.56 -47.98 39.06 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.33 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -65.5 -48.9 71.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.1 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.428 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 85.2 t -54.91 -42.28 62.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.378 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.506 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 29.5 t -65.54 -47.92 84.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -49.87 -41.92 46.5 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.152 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -63.71 -37.17 86.35 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.506 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 39.6 t80 -54.97 -59.08 5.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.181 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -70.84 -40.82 72.16 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.941 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -49.49 -38.55 30.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.492 0.663 . . . . 0.0 109.716 178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -94.37 -22.81 18.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.717 -1.129 . . . . 0.0 112.491 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.472 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 88.2 m-20 -81.53 -46.84 13.91 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.028 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -8.89 -116.11 0.0 OUTLIER Glycine 0 C--N 1.333 0.367 0 N-CA-C 115.763 1.065 . . . . 0.0 115.763 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.427 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 32.5 t -110.63 5.02 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -176.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -125.14 11.75 8.23 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.818 -0.551 . . . . 0.0 111.729 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.67 175.9 52.2 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.556 -0.831 . . . . 0.0 113.106 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -98.73 100.83 12.08 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.757 0.313 . . . . 0.0 110.535 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.423 ' CZ3' HG11 ' B' ' 30' ' ' VAL . 13.9 m95 -91.32 112.23 24.05 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.1 p -104.46 133.24 49.67 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.426 ' CD2' ' OD1' ' A' ' 47' ' ' ASP . 9.8 t80 -111.9 144.98 40.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.896 0.379 . . . . 0.0 111.442 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -123.17 84.83 2.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.959 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.426 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 22.3 m-20 -48.7 -36.77 16.91 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.378 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.78 -33.4 16.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.013 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.5 p -127.41 15.29 7.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.609 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? 46.46 36.27 3.4 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.182 0.515 . . . . 0.0 110.679 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 98.6 m -116.59 146.49 42.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.264 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' B' ' 6' ' ' ILE . 61.8 m-85 -110.11 126.93 54.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.07 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -110.6 125.97 53.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.02 0.438 . . . . 0.0 111.206 179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.8 t -114.56 115.01 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.064 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.606 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 10.1 m -99.91 113.28 25.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.982 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' O ' ' HE2' ' B' ' 10' ' ' LYS . 4.3 tm-20 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.042 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.439 ' HE3' ' CZ ' ' B' ' 3' ' ' TYR . 44.0 ttp . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.639 0.257 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -109.85 149.22 30.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.657 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.439 ' CZ ' ' HE3' ' B' ' 1' ' ' MET . 4.7 m-85 -133.85 151.78 51.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.616 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 51' ' ' THR . 39.0 ttpt -101.44 108.15 19.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 110.428 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.516 ' HB ' HG21 ' B' ' 16' ' ' THR . 67.2 t -94.65 111.92 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 121.405 0.621 . . . . 0.0 111.033 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 52' ' ' PHE . 70.3 mt -94.7 131.55 41.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.217 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 14.5 mt -111.37 103.49 11.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.463 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.606 ' O ' ' HA ' ' A' ' 55' ' ' THR . 5.2 m120 -107.16 108.8 20.42 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -178.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.1 -170.75 17.11 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.469 -0.872 . . . . 0.0 111.895 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' B' ' 10' ' ' LYS . 4.0 mptp? -78.06 -54.72 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.888 0.375 . . . . 0.0 110.591 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.428 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 9.3 p -104.82 4.65 32.39 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.326 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.527 HD13 ' CA ' ' A' ' 18' ' ' THR . 23.3 tp -138.76 138.57 37.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.126 0.489 . . . . 0.0 111.583 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' B' ' 13' ' ' LYS . 1.7 mppt? -144.94 145.37 31.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.083 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.444 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -177.63 -170.8 40.37 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.029 -1.081 . . . . 0.0 113.545 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -145.2 140.83 28.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.754 0.311 . . . . 0.0 110.507 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.516 HG21 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -141.55 169.16 18.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.545 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 46.5 p -143.15 120.12 11.34 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.521 ' CA ' HD13 ' A' ' 12' ' ' LEU . 15.3 t -107.08 142.73 36.28 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.029 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -98.3 110.34 22.94 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.76 147.93 32.42 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.168 0.508 . . . . 0.0 111.972 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 37.2 t -50.9 -28.05 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.069 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.402 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 58.2 p30 -158.12 177.78 10.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.93 0.395 . . . . 0.0 111.623 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.87 91.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.626 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.39 -55.73 28.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.089 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.402 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 46.8 p -51.22 -45.59 61.98 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.96 -53.95 52.58 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.417 ' OE2' ' CE3' ' A' ' 43' ' ' TRP . 40.5 tp10 -48.52 -48.05 38.58 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.389 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -65.42 -48.88 71.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.104 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.428 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 83.9 t -54.94 -42.31 63.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.281 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.51 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 29.0 t -65.56 -47.86 84.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.9 mttm -49.95 -41.95 47.61 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.14 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -63.54 -37.29 86.74 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.51 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 39.3 t80 -54.96 -59.08 5.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.173 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -70.81 -40.87 72.24 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.895 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -49.45 -38.6 30.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.607 0.717 . . . . 0.0 109.78 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -94.31 -22.78 18.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.704 -1.135 . . . . 0.0 112.539 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.473 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 88.2 m-20 -81.56 -46.89 13.8 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.06 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -8.81 -116.23 0.0 OUTLIER Glycine 0 CA--C 1.519 0.324 0 CA-C-N 114.97 -1.014 . . . . 0.0 115.615 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.427 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 32.5 t -110.56 5.08 8.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -176.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -125.15 11.6 8.21 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.872 -0.517 . . . . 0.0 111.784 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.6 175.94 52.32 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.596 -0.811 . . . . 0.0 113.111 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -98.81 100.77 12.01 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.774 0.321 . . . . 0.0 110.539 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.423 ' CZ3' HG11 ' A' ' 30' ' ' VAL . 13.9 m95 -91.36 112.2 24.01 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 64.1 p -104.46 133.18 49.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.666 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.429 ' CD2' ' OD1' ' B' ' 47' ' ' ASP . 9.9 t80 -111.82 144.96 40.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.984 0.421 . . . . 0.0 111.44 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -123.15 84.96 2.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.869 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.429 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 22.1 m-20 -48.68 -36.77 16.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.495 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.82 -33.48 16.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.997 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 72.1 p -127.39 15.47 7.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? 46.46 36.11 3.3 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.17 0.51 . . . . 0.0 110.7 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 98.9 m -116.47 146.53 42.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.268 -179.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 6' ' ' ILE . 62.0 m-85 -110.09 126.94 54.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -110.65 125.96 54.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.068 0.461 . . . . 0.0 111.123 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 48.5 t -114.5 115.01 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.099 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.606 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 10.0 m -99.97 113.33 25.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.895 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.403 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 4.3 tm-20 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.383 -0.818 . . . . 0.0 111.058 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.452 ' CE ' ' CE ' ' B' ' 50' ' ' LYS . 18.3 ttt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.632 0.253 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -106.55 141.24 38.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.129 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -127.94 148.16 50.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.82 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.487 ' HB2' ' NZ ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -94.9 135.29 36.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.406 179.617 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.473 ' O ' HG22 ' A' ' 16' ' ' THR . 47.7 t -122.22 117.43 52.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.172 0.511 . . . . 0.0 111.054 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.429 ' CG2' ' ND2' ' A' ' 8' ' ' ASN . 70.9 mt -98.88 118.7 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.72 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.412 HD13 HG23 ' A' ' 16' ' ' THR . 9.3 mt -101.22 88.47 3.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.909 0.385 . . . . 0.0 110.315 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.566 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.3 m120 -95.55 105.46 17.44 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.319 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.16 -171.14 20.0 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.219 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -73.74 -55.26 6.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.709 0.29 . . . . 0.0 111.134 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.453 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 4.7 p -112.85 13.15 19.62 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.193 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.591 ' HB3' ' CD1' ' B' ' 33' ' ' PHE . 20.9 tp -138.54 138.45 38.0 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.978 0.418 . . . . 0.0 110.922 -179.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -141.35 140.13 33.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.255 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.465 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -174.11 -176.64 42.68 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 119.929 -1.129 . . . . 0.0 113.45 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 54.4 mp0 -142.91 140.88 31.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.466 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.473 HG22 ' O ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -137.89 168.46 19.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.919 -179.81 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.426 HG23 ' HD3' ' A' ' 4' ' ' LYS . 81.3 p -143.63 121.26 11.81 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -179.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.524 ' CA ' HD11 ' B' ' 12' ' ' LEU . 10.3 t -105.98 141.01 38.09 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.188 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -100.68 111.92 24.23 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.429 ' HB1' ' HA ' ' A' ' 26' ' ' ALA . . . -147.6 151.2 35.84 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 121.3 0.571 . . . . 0.0 112.082 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.1 t -51.02 -37.12 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.114 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -144.11 171.12 14.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.802 0.334 . . . . 0.0 111.311 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.46 82.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.57 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.84 -54.47 38.36 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.0 p -52.13 -45.87 65.14 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.429 ' HA ' ' HB1' ' A' ' 20' ' ' ALA . . . -59.98 -51.79 68.14 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.282 178.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.459 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 44.6 tt0 -53.15 -48.53 67.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.818 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -57.53 -39.64 77.04 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.832 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.455 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 86.9 t -56.88 -39.79 67.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.751 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.486 ' CG1' ' CE2' ' A' ' 34' ' ' PHE . 10.5 t -63.66 -47.23 92.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.599 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 4.2 mptp? -47.56 -46.42 27.89 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.886 0.374 . . . . 0.0 110.484 178.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -69.38 -38.09 77.86 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.594 ' CD1' ' HB3' ' B' ' 12' ' ' LEU . 62.9 t80 -55.26 -53.61 53.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.866 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.486 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 22.7 m-85 -76.81 -39.83 50.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.403 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -50.17 -37.72 36.15 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.389 0.614 . . . . 0.0 110.029 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -94.22 -24.47 17.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.531 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 84.7 m-20 -77.49 -46.46 22.39 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 37' ' ' ASN . . . -4.16 -122.55 0.0 OUTLIER Glycine 0 C--N 1.334 0.425 0 CA-C-N 114.777 -1.101 . . . . 0.0 115.595 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.423 ' CG1' ' O ' ' A' ' 39' ' ' VAL . 33.3 t -112.04 4.9 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.56 13.4 8.73 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.877 -0.514 . . . . 0.0 112.125 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.17 176.33 53.8 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.508 -0.853 . . . . 0.0 113.016 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -96.9 102.9 14.77 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.468 ' CH2' ' HD2' ' B' ' 31' ' ' LYS . 7.2 m0 -100.36 120.49 40.04 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.7 p -107.16 135.77 48.12 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.515 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 8.5 t80 -111.26 144.44 40.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.962 0.41 . . . . 0.0 111.421 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -123.27 83.39 2.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.608 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 52.8 m-20 -48.0 -37.31 14.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.424 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.16 -35.12 59.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.042 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.1 p -115.82 10.56 15.35 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.484 ' HB3' ' NZ ' ' A' ' 50' ' ' LYS . 2.8 mmmp? 49.05 34.9 6.15 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.78 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 70.7 m -127.11 146.12 50.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.105 0.479 . . . . 0.0 111.871 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.515 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.9 m-85 -109.84 141.15 42.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.828 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.8 p -120.45 128.26 53.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.264 0.554 . . . . 0.0 111.939 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.0 t -108.05 108.95 26.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.109 178.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.564 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 2.9 m -99.88 112.3 24.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.987 0.422 . . . . 0.0 111.378 -178.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.932 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.449 ' CE ' ' CE ' ' A' ' 50' ' ' LYS . 18.3 ttt . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.717 0.294 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -106.58 141.29 38.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.335 . . . . 0.0 111.132 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -128.0 148.18 50.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.487 ' NZ ' ' HB2' ' B' ' 4' ' ' LYS . 0.1 OUTLIER -95.01 135.36 36.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.303 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.475 ' O ' HG22 ' B' ' 16' ' ' THR . 47.6 t -122.25 117.4 52.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.136 0.493 . . . . 0.0 111.044 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.465 HD13 HG21 ' B' ' 6' ' ' ILE . 70.9 mt -98.89 118.63 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.777 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.415 HD13 HG23 ' B' ' 16' ' ' THR . 9.3 mt -101.15 88.5 3.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.935 0.398 . . . . 0.0 110.371 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.564 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.3 m120 -95.62 105.46 17.45 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.344 -179.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.25 -171.16 19.94 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.21 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -73.54 -55.41 6.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.689 0.281 . . . . 0.0 111.185 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.455 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 4.8 p -112.72 12.97 19.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.189 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.594 ' HB3' ' CD1' ' A' ' 33' ' ' PHE . 20.9 tp -138.45 138.34 38.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.998 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -141.19 140.2 33.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.128 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -174.09 -176.73 42.73 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.011 -1.09 . . . . 0.0 113.446 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 54.6 mp0 -142.92 141.05 31.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.95 0.405 . . . . 0.0 110.421 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.475 HG22 ' O ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -138.0 168.51 19.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.949 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.419 HG23 ' HD3' ' B' ' 4' ' ' LYS . 79.2 p -143.77 121.18 11.66 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.515 ' CA ' HD11 ' A' ' 12' ' ' LEU . 10.1 t -106.01 141.07 38.02 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.133 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -100.67 111.79 24.08 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' B' ' 26' ' ' ALA . . . -147.52 151.25 36.04 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.284 0.564 . . . . 0.0 112.121 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.2 t -51.09 -37.05 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.006 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -144.24 171.05 14.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.871 0.367 . . . . 0.0 111.267 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.48 -42.38 82.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.648 -179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.85 -54.36 39.92 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 75.2 p -52.24 -45.72 65.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.428 ' HA ' ' HB1' ' B' ' 20' ' ' ALA . . . -60.03 -51.85 67.87 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.206 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.454 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 44.6 tt0 -53.14 -48.55 67.82 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.872 179.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -57.52 -39.6 76.91 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.829 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.453 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 87.1 t -56.85 -39.9 67.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.695 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.488 ' CG1' ' CE2' ' B' ' 34' ' ' PHE . 10.5 t -63.65 -47.36 91.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.468 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 4.1 mptp? -47.48 -46.45 27.04 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.921 0.391 . . . . 0.0 110.557 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -69.28 -38.2 78.24 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.591 ' CD1' ' HB3' ' A' ' 12' ' ' LEU . 62.8 t80 -55.19 -53.64 53.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.877 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.488 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 22.8 m-85 -76.66 -39.95 50.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.365 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -50.19 -37.72 36.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.446 0.641 . . . . 0.0 110.056 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -94.25 -24.46 17.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.133 -0.94 . . . . 0.0 112.501 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 84.7 m-20 -77.49 -46.35 22.74 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' B' ' 37' ' ' ASN . . . -4.21 -122.57 0.0 OUTLIER Glycine 0 C--N 1.333 0.415 0 CA-C-N 114.678 -1.147 . . . . 0.0 115.587 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.428 ' CG1' ' O ' ' B' ' 39' ' ' VAL . 34.1 t -112.0 4.89 8.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -176.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.54 13.41 8.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.841 -0.537 . . . . 0.0 112.067 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.27 176.3 53.73 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.997 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -96.78 102.89 14.76 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.464 ' CH2' ' HD2' ' A' ' 31' ' ' LYS . 7.1 m0 -100.26 120.43 39.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 75.0 p -107.23 135.65 48.4 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.513 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 8.4 t80 -111.15 144.36 40.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.939 0.399 . . . . 0.0 111.425 -178.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -123.2 83.34 2.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.75 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 53.2 m-20 -47.88 -37.52 14.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.338 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.1 -35.01 59.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.022 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.4 p -115.92 10.64 15.26 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.48 ' NZ ' ' HB3' ' B' ' 50' ' ' LYS . 2.8 mmmp? 48.96 34.95 5.99 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.837 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 70.0 m -127.14 145.99 50.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.075 0.464 . . . . 0.0 111.917 -178.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.513 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.9 m-85 -109.77 141.2 42.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.886 179.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.7 p -120.5 128.26 52.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.322 0.582 . . . . 0.0 111.911 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 47.9 t -107.89 108.97 26.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.139 178.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.566 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 2.9 m -99.95 112.19 24.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.019 0.438 . . . . 0.0 111.457 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.974 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.0 mmm . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 121.021 0.439 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -105.83 144.88 31.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.176 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' A' ' 17' ' ' THR . 21.2 m-85 -125.91 143.68 50.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.706 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' B' ' 51' ' ' THR . 6.8 ttpm? -105.83 108.47 20.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.206 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.42 ' O ' HG21 ' A' ' 16' ' ' THR . 52.0 t -94.8 132.03 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.278 0.561 . . . . 0.0 111.374 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.448 HG13 ' CG2' ' B' ' 51' ' ' THR . 67.2 mt -101.25 116.22 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.512 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.424 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.2 mt -94.85 89.85 5.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.535 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.574 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.6 t-20 -98.23 105.48 17.63 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.913 -178.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.507 ' HA2' ' OE1' ' B' ' 56' ' ' GLU . . . -113.98 -166.63 15.96 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.033 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.45 ' HG2' ' HG3' ' B' ' 56' ' ' GLU . 28.3 mmmt -72.0 -57.08 4.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.327 . . . . 0.0 111.326 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.442 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 3.9 p -114.73 15.0 17.61 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.093 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.545 ' HB3' ' CD1' ' B' ' 33' ' ' PHE . 33.1 tp -139.54 139.22 36.82 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.127 0.489 . . . . 0.0 111.342 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -145.28 144.61 30.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.208 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.507 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.04 -169.75 39.34 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.059 -1.067 . . . . 0.0 113.542 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -145.36 136.7 25.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.032 0.444 . . . . 0.0 110.749 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.507 ' HA ' ' HA3' ' B' ' 14' ' ' GLY . 0.0 OUTLIER -131.54 168.17 18.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.904 -179.766 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 66.9 p -143.44 118.47 10.05 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.504 ' CA ' HD13 ' B' ' 12' ' ' LEU . 10.3 t -107.44 143.57 35.6 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.349 178.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -106.71 112.65 25.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.22 153.16 42.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.372 0.606 . . . . 0.0 112.001 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -50.79 -26.0 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.806 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.425 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 7.9 p-10 -157.97 174.95 14.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.007 0.432 . . . . 0.0 111.635 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -58.21 -42.0 85.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.323 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.52 -54.11 44.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.174 179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.425 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 33.3 p -52.4 -44.68 65.51 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.26 -53.15 61.08 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -51.09 -48.5 61.65 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.773 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -61.57 -44.26 97.36 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.108 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.44 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 78.7 t -55.47 -44.57 76.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.654 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.571 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 90.7 t -65.06 -47.54 87.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.435 ' HA ' ' CH2' ' B' ' 43' ' ' TRP . 90.7 mttt -48.34 -49.0 36.02 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.591 179.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -66.7 -35.81 81.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.512 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.571 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 69.8 t80 -52.59 -51.46 59.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.999 178.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.433 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 26.3 m-85 -77.34 -37.21 52.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.305 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -49.92 -39.78 41.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.629 0.728 . . . . 0.0 109.81 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.71 -24.34 17.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.722 -1.126 . . . . 0.0 112.863 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 88.8 m-20 -78.22 -46.14 21.2 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -3.61 -119.53 0.0 OUTLIER Glycine 0 CA--C 1.521 0.427 0 CA-C-N 114.415 -1.266 . . . . 0.0 116.156 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.7 t -85.52 -55.23 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 -175.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -92.2 29.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -176.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.64 161.76 54.26 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 119.887 -1.149 . . . . 0.0 112.057 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -87.53 99.17 11.83 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.86 0.33 . . . . 0.0 110.11 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.438 ' CH2' ' HA ' ' B' ' 31' ' ' LYS . 8.4 m0 -100.91 118.95 37.97 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.9 p -110.65 137.81 47.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.51 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 8.4 t80 -114.62 144.8 42.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.726 0.298 . . . . 0.0 111.526 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -123.52 84.34 2.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.59 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 17.9 m-20 -47.93 -34.05 8.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.33 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.91 -34.09 19.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.22 -179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.4 p -125.25 16.0 8.37 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' HE3' ' HB3' ' A' ' 50' ' ' LYS . 8.3 mmmt 48.95 35.41 6.69 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.702 0.287 . . . . 0.0 110.613 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.453 ' CG2' HG13 ' B' ' 6' ' ' ILE . 95.8 m -125.23 142.01 51.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.007 0.432 . . . . 0.0 111.845 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.51 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 6.8 m-85 -107.7 138.99 42.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.352 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -116.24 125.77 52.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.204 0.526 . . . . 0.0 111.025 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.1 t -113.89 119.22 60.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.143 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.575 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 8.9 m -100.45 110.15 22.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.42 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.502 ' OE1' ' HA2' ' B' ' 9' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.204 -0.903 . . . . 0.0 112.299 -178.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.8 mmm . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 121.049 0.452 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -105.83 144.83 32.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.158 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.442 ' O ' ' HA ' ' B' ' 17' ' ' THR . 21.3 m-85 -125.8 143.73 50.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.756 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 51' ' ' THR . 6.8 ttpm? -105.72 108.57 20.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.109 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.42 ' O ' HG21 ' B' ' 16' ' ' THR . 51.2 t -94.84 131.96 40.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.335 0.588 . . . . 0.0 111.421 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.453 HG13 ' CG2' ' A' ' 51' ' ' THR . 67.1 mt -101.1 116.12 44.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.433 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.2 mt -94.89 89.84 5.79 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.575 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.7 t-20 -98.19 105.49 17.64 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.988 -178.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.502 ' HA2' ' OE1' ' A' ' 56' ' ' GLU . . . -113.89 -166.73 16.06 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.437 -0.887 . . . . 0.0 113.005 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.442 ' HG2' ' HG3' ' A' ' 56' ' ' GLU . 28.3 mmmt -71.97 -57.06 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 111.298 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.44 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 3.8 p -114.74 15.06 17.58 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.154 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.541 ' HB3' ' CD1' ' A' ' 33' ' ' PHE . 32.7 tp -139.53 139.22 36.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.125 0.488 . . . . 0.0 111.262 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -145.27 144.53 30.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.223 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.507 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.04 -169.8 39.4 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 119.971 -1.109 . . . . 0.0 113.398 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -145.34 136.76 25.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.047 0.451 . . . . 0.0 110.64 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.507 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -131.57 168.19 18.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.008 -179.844 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' B' ' 3' ' ' TYR . 66.5 p -143.44 118.48 10.05 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.505 ' CA ' HD13 ' A' ' 12' ' ' LEU . 10.4 t -107.44 143.54 35.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.303 178.281 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -106.68 112.8 25.94 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.4 153.08 42.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.216 0.531 . . . . 0.0 112.025 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -50.79 -25.97 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.814 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.426 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 7.9 p-10 -157.93 174.86 14.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 111.649 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -58.1 -42.11 84.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.364 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.49 -54.04 45.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.189 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.426 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 32.8 p -52.55 -44.69 65.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.1 -53.29 59.49 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -51.0 -48.6 61.32 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.797 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -61.34 -44.45 97.18 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.029 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.442 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 78.2 t -55.4 -44.55 76.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.65 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.572 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 90.7 t -65.23 -47.44 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.438 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . 90.7 mttt -48.33 -49.02 35.8 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 120.955 0.407 . . . . 0.0 110.601 179.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -66.63 -35.82 81.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.56 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.572 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 70.2 t80 -52.58 -51.55 59.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.905 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.432 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 26.3 m-85 -77.39 -37.03 52.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.361 178.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -50.06 -39.78 43.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.559 0.695 . . . . 0.0 109.804 178.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.66 -24.25 17.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.955 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 88.8 m-20 -78.3 -46.16 20.86 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -3.77 -119.47 0.0 OUTLIER Glycine 0 CA--C 1.521 0.429 0 CA-C-N 114.475 -1.238 . . . . 0.0 116.086 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 59.0 t -85.53 -55.16 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -175.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -92.22 29.33 1.68 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -176.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.65 161.71 54.25 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 119.973 -1.108 . . . . 0.0 112.063 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -87.53 99.29 11.93 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.435 ' CH2' ' HA ' ' A' ' 31' ' ' LYS . 8.4 m0 -101.04 119.08 38.22 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -177.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 74.3 p -110.81 137.73 48.09 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.512 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 8.4 t80 -114.61 144.73 42.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 0.0 111.494 -178.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -123.49 84.38 2.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.434 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 17.6 m-20 -47.88 -33.96 8.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.376 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.11 -34.1 20.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.05 -179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 75.5 p -125.26 16.19 8.37 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt 48.79 35.55 6.63 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.734 0.302 . . . . 0.0 110.633 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.448 ' CG2' HG13 ' A' ' 6' ' ' ILE . 96.1 m -125.28 142.0 51.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.084 0.468 . . . . 0.0 111.708 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.512 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 6.6 m-85 -107.63 139.15 42.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.392 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -116.24 125.72 52.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.198 0.523 . . . . 0.0 111.012 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.5 t -113.89 119.25 60.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.149 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.574 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 8.7 m -100.43 110.12 22.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.526 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.507 ' OE1' ' HA2' ' A' ' 9' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.142 -0.933 . . . . 0.0 112.268 -178.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.5 mmm . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.894 0.378 . . . . 0.0 111.432 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -108.81 146.17 34.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.134 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -130.48 147.51 52.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.696 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.44 ' HB3' ' NZ ' ' A' ' 4' ' ' LYS . 7.1 ttpm? -104.29 112.43 25.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.755 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.542 ' HB ' HG22 ' A' ' 16' ' ' THR . 68.0 t -95.68 131.51 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.18 0.514 . . . . 0.0 110.024 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.501 ' CG2' ' OD1' ' A' ' 8' ' ' ASN . 57.8 mt -109.82 128.58 65.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.686 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.455 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 13.6 mt -107.64 96.05 6.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.733 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.694 ' O ' ' HA ' ' B' ' 55' ' ' THR . 3.3 m120 -105.75 111.1 23.63 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.932 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.08 -166.04 13.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.739 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -83.72 -55.97 3.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.029 0.442 . . . . 0.0 110.09 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.3 p -100.66 -2.66 32.1 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.242 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.497 HD13 ' OG1' ' B' ' 16' ' ' THR . 20.5 tp -136.84 135.55 38.0 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.053 0.454 . . . . 0.0 111.406 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -145.57 147.84 32.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.493 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.497 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.99 -170.76 42.05 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.007 -1.092 . . . . 0.0 113.537 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 51.4 mp0 -138.9 150.06 45.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.734 0.302 . . . . 0.0 110.522 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.542 HG22 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -151.18 169.01 22.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 -179.514 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 64.3 p -143.59 122.28 12.59 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.473 ' CA ' HD12 ' B' ' 12' ' ' LEU . 14.9 t -111.37 146.06 37.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.918 178.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -107.06 117.83 35.09 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.4 150.49 33.62 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.126 0.488 . . . . 0.0 111.855 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.7 t -50.84 -24.49 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.952 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -160.33 176.3 11.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.838 0.351 . . . . 0.0 111.605 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.34 -41.81 90.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.51 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.22 -53.12 58.07 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 59.1 p -53.23 -46.18 69.03 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.16 -51.86 67.96 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.552 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 2.7 tm-20 -53.03 -46.8 68.61 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.378 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -64.55 -49.57 70.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.409 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.3 t -54.59 -41.34 54.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.865 179.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.416 HG12 ' CH2' ' B' ' 43' ' ' TRP . 65.3 t -62.02 -45.91 97.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.482 178.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 10.9 mmtm -49.41 -49.02 46.67 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.06 0.457 . . . . 0.0 110.147 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -59.27 -39.7 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.197 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' B' ' 7' ' ' LEU . 40.2 t80 -51.82 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.972 179.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 28.1 m-85 -67.81 -38.86 83.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.019 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -50.53 -37.96 42.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.471 0.653 . . . . 0.0 109.731 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.22 -23.88 17.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.31 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.43 ' O ' ' HA3' ' A' ' 41' ' ' GLY . 85.3 m-20 -82.22 -43.47 17.59 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.914 0.387 . . . . 0.0 110.237 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.443 ' HA2' ' CB ' ' B' ' 34' ' ' PHE . . . -13.91 -114.19 0.0 OUTLIER Glycine 0 CA--C 1.519 0.308 0 N-CA-C 116.663 1.425 . . . . 0.0 116.663 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -77.54 -55.52 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -176.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.35 24.92 3.63 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.43 ' HA3' ' O ' ' A' ' 37' ' ' ASN . . . -63.31 141.95 46.67 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.124 -1.036 . . . . 0.0 112.256 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -87.79 103.16 15.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.7 0.286 . . . . 0.0 110.281 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.517 ' CH2' ' HD3' ' B' ' 31' ' ' LYS . 3.7 m0 -120.81 148.83 43.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.056 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.5 p -118.05 146.96 43.7 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 10.0 t80 -111.6 142.83 43.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.378 . . . . 0.0 111.716 -179.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -123.02 85.54 2.44 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.63 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.422 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 12.2 m-20 -46.61 -38.79 10.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.748 -179.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.89 -32.53 14.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.147 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.7 p -128.4 12.75 6.51 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 mttp 49.14 34.32 5.82 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.89 0.376 . . . . 0.0 110.545 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.6 m -118.24 141.64 48.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.527 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.1 m-85 -113.36 147.5 37.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.112 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -122.58 128.61 50.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.982 0.42 . . . . 0.0 110.998 178.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.435 HG23 ' CD2' ' A' ' 43' ' ' TRP . 67.9 t -104.07 104.46 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.325 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.693 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 25.0 m -100.68 118.14 36.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.406 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.913 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.865 0.364 . . . . 0.0 111.47 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -108.79 146.17 34.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.165 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -130.41 147.57 52.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.663 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.444 ' NZ ' ' HB3' ' B' ' 4' ' ' LYS . 7.1 ttpm? -104.34 112.36 25.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.727 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.551 ' HB ' HG22 ' B' ' 16' ' ' THR . 67.5 t -95.57 131.58 41.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.156 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.495 ' CG2' ' OD1' ' B' ' 8' ' ' ASN . 57.9 mt -109.82 128.51 65.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.644 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 13.6 mt -107.61 96.21 6.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.68 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.693 ' O ' ' HA ' ' A' ' 55' ' ' THR . 3.3 m120 -105.88 111.04 23.54 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.931 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.06 -166.01 13.32 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.833 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -83.76 -55.79 4.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.136 0.493 . . . . 0.0 110.19 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 10.4 p -100.74 -2.7 31.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.316 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.492 HD13 ' OG1' ' A' ' 16' ' ' THR . 20.4 tp -136.83 135.6 38.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.064 0.459 . . . . 0.0 111.352 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -145.58 147.86 32.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.421 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.96 -170.82 42.15 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.064 -1.065 . . . . 0.0 113.625 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 51.4 mp0 -138.84 150.02 45.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.806 0.336 . . . . 0.0 110.541 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.551 HG22 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -151.09 169.09 22.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.919 -179.55 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 64.7 p -143.64 122.28 12.55 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.47 ' CA ' HD12 ' A' ' 12' ' ' LEU . 14.9 t -111.41 146.04 37.87 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.844 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -107.07 117.91 35.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.614 0.245 . . . . 0.0 110.354 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.36 150.55 33.77 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.13 0.49 . . . . 0.0 111.817 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 38.8 t -50.94 -24.57 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.894 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -160.25 176.35 11.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.8 0.333 . . . . 0.0 111.527 179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.69 90.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.493 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.24 -53.09 58.46 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 58.2 p -53.35 -46.07 69.38 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.2 -51.85 68.02 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.551 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 2.6 tm-20 -53.04 -46.73 68.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.509 178.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -64.56 -49.67 70.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.402 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 66.8 t -54.54 -41.19 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.921 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.415 HG12 ' CH2' ' A' ' 43' ' ' TRP . 66.7 t -62.24 -45.72 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.453 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 10.9 mmtm -49.6 -48.99 48.53 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.92 0.391 . . . . 0.0 109.964 179.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -59.31 -39.67 83.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.198 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 7' ' ' LEU . 40.0 t80 -51.83 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.99 179.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.48 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 28.1 m-85 -67.86 -38.87 83.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.012 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -50.6 -37.94 42.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.535 0.683 . . . . 0.0 109.759 178.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.19 -23.77 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.717 -1.129 . . . . 0.0 112.399 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.431 ' O ' ' HA3' ' B' ' 41' ' ' GLY . 85.6 m-20 -82.24 -43.47 17.56 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.941 0.401 . . . . 0.0 110.187 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.451 ' HA2' ' CB ' ' A' ' 34' ' ' PHE . . . -13.92 -114.16 0.0 OUTLIER Glycine 0 C--N 1.332 0.343 0 N-CA-C 116.687 1.435 . . . . 0.0 116.687 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 97.6 t -77.54 -55.65 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -176.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.28 24.88 3.61 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . 0.431 ' HA3' ' O ' ' B' ' 37' ' ' ASN . . . -63.3 141.9 46.61 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.104 -1.046 . . . . 0.0 112.36 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -87.68 103.2 15.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.656 0.265 . . . . 0.0 110.309 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.514 ' CH2' ' HD3' ' A' ' 31' ' ' LYS . 3.7 m0 -120.8 148.88 43.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.092 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -118.08 146.95 43.73 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 10.0 t80 -111.57 142.87 43.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 111.667 -179.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -122.98 85.38 2.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.646 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.42 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 12.2 m-20 -46.49 -38.86 9.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.713 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.97 -32.59 15.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 67.7 p -128.19 12.71 6.62 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 16.8 mttp 49.11 34.31 5.71 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.034 0.445 . . . . 0.0 110.606 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 85.9 m -118.23 141.63 48.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.486 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.505 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.1 m-85 -113.25 147.55 37.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.122 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -122.6 128.64 50.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.997 0.427 . . . . 0.0 111.069 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.436 HG23 ' CD2' ' B' ' 43' ' ' TRP . 71.7 t -104.12 104.56 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.282 179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.694 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 25.3 m -100.71 118.11 36.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.422 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.821 -179.809 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.843 0.354 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -101.97 140.87 35.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.11 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.505 ' CD2' ' HB3' ' B' ' 50' ' ' LYS . 21.8 m-85 -124.88 143.69 50.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.662 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' B' ' 51' ' ' THR . 87.8 tttt -109.79 111.75 23.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.547 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.561 ' HB ' HG21 ' A' ' 16' ' ' THR . 57.5 t -94.98 134.83 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.102 0.477 . . . . 0.0 110.473 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.479 HD11 HG21 ' A' ' 6' ' ' ILE . 72.3 mt -107.16 122.73 61.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.865 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.47 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 18.8 mt -101.22 86.35 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.287 0.565 . . . . 0.0 109.817 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.623 ' O ' ' HA ' ' B' ' 55' ' ' THR . 32.7 t-20 -92.06 100.98 13.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.357 -178.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.0 153.92 16.69 Favored Glycine 0 N--CA 1.453 -0.168 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.009 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -54.3 -52.95 59.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.86 0.362 . . . . 0.0 111.616 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.43 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 10.4 p -96.64 -9.61 28.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.606 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.509 HD12 ' HB ' ' B' ' 18' ' ' THR . 12.0 tp -134.5 134.79 41.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.608 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -144.04 142.68 30.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.503 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.502 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.94 -166.77 35.48 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.27 -0.967 . . . . 0.0 113.265 -179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -147.97 143.76 27.52 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.32 0.581 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.561 HG21 ' HB ' ' A' ' 5' ' ' VAL . 4.7 t -138.97 169.23 18.17 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.168 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.0 p -143.33 121.3 12.05 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.509 ' HB ' HD12 ' B' ' 12' ' ' LEU . 11.1 t -110.85 146.6 36.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.459 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -107.63 120.17 41.48 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.22 152.23 35.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.218 0.532 . . . . 0.0 111.904 -179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.3 t -50.72 -26.08 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.749 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 58.9 p30 -159.57 175.5 13.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 111.367 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.52 -41.62 81.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.688 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.09 -54.95 29.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.8 p -51.53 -45.7 63.03 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.74 -53.06 62.42 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 8.9 tm-20 -52.81 -46.58 67.75 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.37 179.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -62.48 -46.23 89.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.033 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.432 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 57.6 t -58.06 -38.51 67.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.015 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 65.7 t -64.62 -47.81 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.747 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 3.7 mmmp? -49.62 -51.24 38.98 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.007 0.432 . . . . 0.0 110.096 178.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -58.45 -38.58 77.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.02 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' B' ' 7' ' ' LEU . 24.4 t80 -51.14 -67.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.012 179.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 28.6 m-85 -65.09 -37.24 86.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.641 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.416 ' ND2' HG22 ' B' ' 39' ' ' VAL . 29.8 t-20 -52.12 -38.51 57.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.547 0.689 . . . . 0.0 109.638 178.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -94.23 -25.64 16.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.396 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 38' ' ' GLY . 84.8 m-20 -79.22 -42.59 25.63 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.074 0.464 . . . . 0.0 110.042 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -8.51 -115.51 0.0 OUTLIER Glycine 0 CA--C 1.52 0.401 0 CA-C-N 114.499 -1.228 . . . . 0.0 115.896 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.48 ' HA ' ' NZ ' ' B' ' 31' ' ' LYS . 95.3 t -80.33 -55.49 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 -176.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.75 26.23 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.74 143.49 46.85 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.037 -1.078 . . . . 0.0 112.426 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -79.74 96.59 6.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.74 0.305 . . . . 0.0 110.295 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.752 ' CH2' ' HD2' ' B' ' 31' ' ' LYS . 6.6 m0 -110.14 134.73 51.9 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -178.591 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.401 ' OG1' ' OG1' ' A' ' 53' ' ' THR . 69.0 p -111.54 141.48 45.06 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.498 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 19.3 t80 -111.38 144.42 40.61 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -123.77 81.91 1.96 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.011 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.23 -36.97 6.6 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.074 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.98 -31.99 14.03 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.5 p -128.75 12.96 6.36 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.507 ' HB3' ' CD2' ' B' ' 3' ' ' TYR . 3.8 mppt? 49.27 33.84 5.62 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.007 0.432 . . . . 0.0 110.707 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 88.8 m -117.29 135.22 53.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.281 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 2.8 m-85 -108.27 148.69 29.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.962 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.401 ' OG1' ' OG1' ' A' ' 44' ' ' THR . 3.0 p -121.28 112.79 19.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.225 0.536 . . . . 0.0 111.914 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.8 t -91.16 107.89 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.999 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.623 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 34.7 m -104.23 119.58 39.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.763 -178.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.152 -0.927 . . . . 0.0 110.892 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.839 0.352 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -101.89 140.96 35.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.105 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.507 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 21.3 m-85 -124.92 143.64 50.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.705 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 51' ' ' THR . 87.8 tttt -109.73 111.61 23.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.544 -178.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.565 ' HB ' HG21 ' B' ' 16' ' ' THR . 57.5 t -94.96 134.91 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.141 0.496 . . . . 0.0 110.466 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.458 HD11 HG21 ' B' ' 6' ' ' ILE . 72.1 mt -107.24 122.63 61.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.818 -179.535 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 18.6 mt -101.09 86.26 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.285 0.564 . . . . 0.0 109.904 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.623 ' O ' ' HA ' ' A' ' 55' ' ' THR . 32.7 t-20 -92.1 101.17 13.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.255 -178.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.23 153.85 16.7 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.97 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -54.13 -53.16 57.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 111.561 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.432 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 10.7 p -96.49 -9.6 29.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.66 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.509 HD12 ' HB ' ' A' ' 18' ' ' THR . 11.8 tp -134.54 134.95 41.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.499 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -144.07 142.65 30.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.536 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.93 -166.79 35.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.234 -0.984 . . . . 0.0 113.162 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -147.93 143.77 27.57 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.244 0.545 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.565 HG21 ' HB ' ' B' ' 5' ' ' VAL . 4.8 t -138.97 169.24 18.15 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.146 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 68.7 p -143.29 121.22 12.02 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.509 ' HB ' HD12 ' A' ' 12' ' ' LEU . 11.1 t -110.81 146.53 36.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.35 178.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -107.6 120.15 41.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.23 152.12 35.43 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.249 0.547 . . . . 0.0 111.891 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -50.55 -26.12 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.809 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 58.9 p30 -159.54 175.5 13.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.946 0.403 . . . . 0.0 111.449 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.46 -41.69 81.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.754 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.97 -54.93 30.66 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 41.7 p -51.52 -45.72 63.01 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.78 -53.11 61.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 8.9 tm-20 -52.75 -46.49 67.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.414 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -62.62 -46.26 89.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.931 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.43 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 57.6 t -58.02 -38.57 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.016 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.463 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 66.0 t -64.6 -47.79 87.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.752 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 3.7 mmmp? -49.62 -51.4 37.89 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.022 0.439 . . . . 0.0 110.067 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -58.41 -38.39 77.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.078 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.47 ' CZ ' ' HB3' ' A' ' 7' ' ' LEU . 24.5 t80 -51.34 -67.89 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.928 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.459 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 28.5 m-85 -65.07 -37.25 86.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.652 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.413 ' ND2' HG22 ' A' ' 39' ' ' VAL . 29.8 t-20 -52.06 -38.58 57.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.512 0.672 . . . . 0.0 109.546 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -94.3 -25.45 17.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.781 -1.099 . . . . 0.0 112.452 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' B' ' 38' ' ' GLY . 84.7 m-20 -79.33 -42.5 25.56 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.099 0.476 . . . . 0.0 110.087 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -8.68 -115.25 0.0 OUTLIER Glycine 0 CA--C 1.52 0.378 0 CA-C-N 114.506 -1.224 . . . . 0.0 116.029 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.479 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 96.6 t -80.52 -55.48 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 -176.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.73 26.1 2.85 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -177.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.63 143.29 46.67 Favored Glycine 0 CA--C 1.522 0.511 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.413 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -79.51 96.54 6.13 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.747 0.308 . . . . 0.0 110.371 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.747 ' CH2' ' HD2' ' A' ' 31' ' ' LYS . 6.7 m0 -110.16 134.79 51.84 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.403 ' OG1' ' OG1' ' B' ' 53' ' ' THR . 68.6 p -111.52 141.65 44.81 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.501 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 19.2 t80 -111.52 144.35 40.89 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -123.6 81.77 1.94 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.065 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.09 -37.07 6.37 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.113 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.84 -32.07 13.37 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.6 p -128.64 12.77 6.39 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.505 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 3.8 mppt? 49.22 34.08 5.75 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.063 0.459 . . . . 0.0 110.592 -179.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 88.5 m -117.34 135.28 53.96 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.269 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.501 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 2.8 m-85 -108.38 148.76 29.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.911 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.403 ' OG1' ' OG1' ' B' ' 44' ' ' THR . 3.1 p -121.26 112.64 18.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.247 0.546 . . . . 0.0 111.965 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.7 t -91.08 107.88 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.975 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.623 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 35.3 m -104.22 119.71 39.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.668 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.946 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.1 mtp . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -107.75 145.22 33.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.155 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.434 ' CE2' ' HD2' ' B' ' 50' ' ' LYS . 2.6 m-85 -128.95 148.3 50.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.842 0.353 . . . . 0.0 111.007 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.473 ' HB2' ' NZ ' ' A' ' 4' ' ' LYS . 4.8 ttmp? -106.81 109.2 21.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.643 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.458 ' O ' HG23 ' A' ' 16' ' ' THR . 61.6 t -94.54 129.21 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.264 0.554 . . . . 0.0 111.344 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.426 HG13 ' CG2' ' B' ' 51' ' ' THR . 76.5 mt -100.8 116.33 44.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.361 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.426 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.8 mt -95.06 85.48 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.792 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.603 ' O ' ' HA ' ' B' ' 55' ' ' THR . 33.7 t-20 -96.8 107.25 19.7 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.736 -178.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.79 -165.92 14.58 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.359 -0.924 . . . . 0.0 112.621 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -75.35 -58.12 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.422 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 11.5 p -109.66 10.32 24.91 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.228 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.557 ' HB3' ' CD1' ' B' ' 33' ' ' PHE . 24.4 tp -138.44 138.93 38.61 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.061 0.458 . . . . 0.0 111.457 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -145.29 145.43 31.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.473 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.465 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.46 -173.42 43.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.151 -1.023 . . . . 0.0 113.305 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -141.25 136.67 31.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.9 0.381 . . . . 0.0 110.459 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.463 ' HA ' ' HA3' ' B' ' 14' ' ' GLY . 0.1 OUTLIER -134.9 167.66 20.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.103 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.6 p -143.54 118.68 10.11 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.516 ' CA ' HD13 ' B' ' 12' ' ' LEU . 12.4 t -107.87 146.28 32.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.708 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -105.3 116.0 31.21 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.417 ' HB2' ' HA ' ' A' ' 26' ' ' ALA . . . -146.81 149.45 33.35 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.188 0.518 . . . . 0.0 111.956 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.12 -36.51 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.15 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -145.15 171.99 13.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.856 0.36 . . . . 0.0 111.282 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.8 86.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.652 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.51 -54.23 43.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.086 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.6 p -52.0 -46.11 64.79 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.417 ' HA ' ' HB2' ' A' ' 20' ' ' ALA . . . -59.33 -53.03 62.86 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.212 178.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -51.35 -46.89 62.85 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.218 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -63.39 -46.9 84.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.9 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.422 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 92.5 t -55.1 -43.43 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.133 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.592 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 40.9 t -64.53 -47.35 89.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 57.9 mtpt -51.76 -46.13 63.98 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.061 178.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.85 -38.65 82.7 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.592 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 60.8 t80 -52.59 -65.52 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.927 178.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.445 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 27.7 m-85 -65.45 -38.22 89.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.565 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 31.6 t-20 -52.04 -38.43 56.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.487 0.66 . . . . 0.0 109.949 178.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.432 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 58.3 m-20 -94.04 -23.35 18.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.865 -1.062 . . . . 0.0 112.333 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.497 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 85.8 m-20 -82.36 -46.36 13.67 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.534 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -9.23 -111.55 0.0 OUTLIER Glycine 0 CA--C 1.521 0.449 0 N-CA-C 115.631 1.013 . . . . 0.0 115.631 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.412 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 19.7 t -110.39 5.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -176.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -125.15 10.79 8.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 118.568 0.622 . . . . 0.0 111.873 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.49 171.48 54.1 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.181 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -97.72 102.21 13.92 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.446 ' CZ3' HG12 ' B' ' 30' ' ' VAL . 9.1 m95 -97.9 119.68 36.94 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.264 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.9 p -109.54 137.77 46.89 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.5 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 18.5 t80 -111.22 144.35 40.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.076 0.465 . . . . 0.0 111.946 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -123.58 81.7 1.93 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.283 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.92 -35.3 10.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.718 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.94 -33.45 17.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.972 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.9 p -128.29 12.25 6.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.681 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' HD2' ' CE2' ' B' ' 3' ' ' TYR . 20.4 mtmt 52.81 31.69 11.01 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.802 0.334 . . . . 0.0 110.728 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 93.6 m -117.49 140.52 49.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.088 0.471 . . . . 0.0 112.086 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.8 m-85 -110.33 142.45 41.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.068 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -117.45 101.56 8.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.186 0.517 . . . . 0.0 111.726 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.0 t -82.82 106.96 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.82 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.601 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 18.9 m -97.78 111.24 23.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.361 -179.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' HG2' ' HB2' ' A' ' 36' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.298 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 82.1 mtp . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.917 0.389 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -107.87 145.24 33.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.099 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.435 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 2.5 m-85 -128.87 148.26 50.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.836 0.35 . . . . 0.0 111.098 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.477 ' NZ ' ' HB2' ' B' ' 4' ' ' LYS . 4.8 ttmp? -106.68 109.24 21.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.755 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.457 ' O ' HG23 ' B' ' 16' ' ' THR . 61.4 t -94.7 129.26 45.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.287 0.565 . . . . 0.0 111.269 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.429 HG13 ' CG2' ' A' ' 51' ' ' THR . 76.4 mt -100.81 116.39 44.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.244 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.7 mt -94.99 85.3 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.909 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.601 ' O ' ' HA ' ' A' ' 55' ' ' THR . 33.7 t-20 -96.73 107.18 19.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.774 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.74 -165.94 14.61 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.394 -0.908 . . . . 0.0 112.71 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -75.39 -58.14 3.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.822 0.344 . . . . 0.0 111.066 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.422 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 11.4 p -109.63 10.22 24.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.556 ' HB3' ' CD1' ' A' ' 33' ' ' PHE . 24.1 tp -138.41 138.8 38.56 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.069 0.461 . . . . 0.0 111.464 -179.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -145.29 145.37 31.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.463 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.463 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.45 -173.49 43.87 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.109 -1.043 . . . . 0.0 113.24 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -141.11 136.63 32.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.853 0.359 . . . . 0.0 110.515 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.465 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -134.76 167.66 20.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.079 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 60.0 p -143.59 118.67 10.07 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -179.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.511 ' CA ' HD13 ' A' ' 12' ' ' LEU . 12.4 t -107.81 146.31 32.41 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.588 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -105.4 116.17 31.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.41 ' HB2' ' HA ' ' B' ' 26' ' ' ALA . . . -146.98 149.42 33.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.231 0.539 . . . . 0.0 111.911 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.14 -36.47 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.366 -0.833 . . . . 0.0 112.129 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -145.25 172.0 13.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.8 0.333 . . . . 0.0 111.199 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.19 -42.77 86.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.582 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.58 -54.26 42.31 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 75.8 p -52.0 -46.01 64.74 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.41 ' HA ' ' HB2' ' B' ' 20' ' ' ALA . . . -59.28 -52.97 63.39 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.353 177.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -51.39 -47.08 63.02 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.15 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -63.12 -46.91 85.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.95 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.422 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 93.1 t -55.25 -43.16 69.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.307 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.598 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 41.2 t -64.64 -47.37 89.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.409 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 58.1 mtpt -51.83 -46.05 64.18 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.136 178.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.79 -38.72 82.71 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.598 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 60.6 t80 -52.45 -65.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.913 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.445 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 27.8 m-85 -65.5 -38.23 89.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.584 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' B' ' 31' ' ' LYS . 31.6 t-20 -52.02 -38.48 57.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.431 0.634 . . . . 0.0 109.797 178.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.438 ' HB2' ' HG2' ' B' ' 56' ' ' GLU . 58.0 m-20 -94.04 -23.37 18.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.91 -1.041 . . . . 0.0 112.3 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.495 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 85.6 m-20 -82.19 -46.45 13.74 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.964 0.412 . . . . 0.0 110.557 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -9.26 -111.72 0.0 OUTLIER Glycine 0 CA--C 1.522 0.472 0 N-CA-C 115.709 1.043 . . . . 0.0 115.709 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.41 HG23 ' ND2' ' A' ' 35' ' ' ASN . 19.0 t -110.19 5.4 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -176.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -125.27 11.03 8.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 118.651 0.659 . . . . 0.0 111.83 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.91 171.59 53.87 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.555 -0.831 . . . . 0.0 113.197 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -97.76 102.09 13.76 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.442 ' CZ3' HG12 ' A' ' 30' ' ' VAL . 9.1 m95 -97.87 119.43 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -178.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 75.1 p -109.37 137.86 46.61 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.5 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 18.4 t80 -111.25 144.25 40.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.088 0.47 . . . . 0.0 111.862 -178.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -123.5 81.65 1.92 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.293 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.8 -35.46 10.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.712 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.85 -33.53 17.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.933 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.9 p -128.23 12.28 6.54 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.434 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 20.3 mtmt 52.68 31.79 10.88 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.787 0.327 . . . . 0.0 110.686 -179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 94.1 m -117.59 140.5 49.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.208 0.528 . . . . 0.0 111.976 -178.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.8 m-85 -110.31 142.42 41.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.137 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -117.46 101.6 8.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.133 0.492 . . . . 0.0 111.801 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.8 106.83 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.874 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.603 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 18.0 m -97.52 111.16 23.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.482 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.438 ' HG2' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.305 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.848 0.356 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -106.93 139.86 40.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.594 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.456 ' CE2' ' HE2' ' B' ' 50' ' ' LYS . 10.1 m-85 -126.82 152.71 46.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.974 0.416 . . . . 0.0 111.032 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' B' ' 51' ' ' THR . 17.6 tppt? -98.59 128.95 45.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.569 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.465 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.9 t -119.04 119.02 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.492 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.547 ' O ' ' HA ' ' B' ' 53' ' ' THR . 63.4 mt -102.72 124.51 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.131 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.444 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 17.4 mt -106.21 94.57 5.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.39 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.599 ' O ' ' HA ' ' B' ' 55' ' ' THR . 81.9 m-20 -103.29 108.85 20.24 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.34 -0.391 . . . . 0.0 112.027 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.05 -165.64 14.36 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.234 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -78.28 -57.51 3.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.887 0.375 . . . . 0.0 111.001 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.468 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 7.7 p -106.61 7.25 30.57 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.572 -178.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.513 HD12 ' CA ' ' B' ' 18' ' ' THR . 22.4 tp -136.2 135.45 39.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.047 0.451 . . . . 0.0 111.45 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -137.9 137.9 38.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.033 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -173.84 -176.12 42.04 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 119.821 -1.18 . . . . 0.0 113.641 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -143.33 141.85 31.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.886 0.374 . . . . 0.0 110.497 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.465 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -141.64 168.87 18.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.01 -179.437 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.401 ' C ' ' CD1' ' B' ' 12' ' ' LEU . 70.2 p -143.74 122.85 12.88 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -179.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.519 ' CA ' HD12 ' B' ' 12' ' ' LEU . 10.8 t -109.45 146.36 34.65 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.144 179.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -106.1 117.17 33.35 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.416 ' HB2' ' HA ' ' A' ' 26' ' ' ALA . . . -148.56 149.57 31.81 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.212 0.529 . . . . 0.0 111.954 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -51.18 -36.51 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.141 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -146.18 172.68 13.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.818 0.342 . . . . 0.0 111.341 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.03 -43.17 86.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.572 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.22 -54.74 36.63 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 77.6 p -52.4 -45.8 66.04 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.416 ' HA ' ' HB2' ' A' ' 20' ' ' ALA . . . -59.28 -53.39 58.84 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.09 178.006 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -49.37 -48.33 46.93 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.277 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.35 -46.71 87.44 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.077 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.467 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 89.0 t -55.2 -43.38 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.351 179.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.567 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 60.5 t -65.87 -49.31 77.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HA ' ' CH2' ' B' ' 43' ' ' TRP . 50.4 mtpt -53.88 -43.81 69.93 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.443 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.93 -37.8 83.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.431 0.634 . . . . 0.0 109.368 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.567 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 53.5 t80 -52.99 -64.29 0.87 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.851 179.064 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.411 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 32.2 m-85 -67.73 -39.69 84.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.066 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.481 ' ND2' ' CG2' ' B' ' 39' ' ' VAL . 31.0 t-20 -51.31 -39.01 56.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.577 0.703 . . . . 0.0 109.756 178.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.409 ' CB ' ' OE2' ' A' ' 56' ' ' GLU . 1.3 m-20 -94.68 -25.59 16.66 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.637 -1.165 . . . . 0.0 112.727 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.505 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.0 m-20 -77.21 -39.24 49.4 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.983 0.42 . . . . 0.0 110.091 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.39 -116.88 0.0 OUTLIER Glycine 0 CA--C 1.521 0.466 0 CA-C-N 114.614 -1.175 . . . . 0.0 115.725 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.479 ' CG2' ' ND2' ' B' ' 35' ' ' ASN . 60.4 t -83.54 -55.64 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 -175.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -88.8 25.7 1.7 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -176.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.19 149.1 51.68 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 119.918 -1.134 . . . . 0.0 112.052 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -78.04 91.65 4.28 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.886 0.343 . . . . 0.0 110.274 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.436 ' CZ3' HG13 ' B' ' 30' ' ' VAL . 8.6 m0 -101.57 125.04 48.16 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.6 p -107.82 139.95 41.65 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 13.0 t80 -112.67 141.04 46.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.111 0.481 . . . . 0.0 111.904 -178.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -123.61 82.92 2.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.267 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.05 -37.09 19.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.339 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.29 -32.49 56.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.54 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.8 p -115.5 7.76 15.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.672 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.457 ' HE2' ' CE2' ' B' ' 3' ' ' TYR . 11.9 mmmm 49.28 33.2 4.98 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.77 0.319 . . . . 0.0 110.715 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.446 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 90.9 m -125.18 153.55 42.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.147 0.499 . . . . 0.0 111.908 -178.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 1.9 m-85 -121.68 143.96 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.901 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.548 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 3.0 p -122.42 128.53 51.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.118 0.485 . . . . 0.0 111.577 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.9 t -103.68 104.17 16.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.678 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.603 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 26.5 m -95.43 112.2 23.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.988 -178.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' OE2' ' CB ' ' A' ' 36' ' ' ASP . 16.8 tp10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.111 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.726 0.298 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -106.89 139.88 40.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.607 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.457 ' CE2' ' HE2' ' A' ' 50' ' ' LYS . 10.0 m-85 -126.75 152.75 46.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.973 0.416 . . . . 0.0 111.086 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 51' ' ' THR . 17.6 tppt? -98.64 129.13 45.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.598 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.465 ' HB ' HG23 ' B' ' 16' ' ' THR . 62.1 t -119.17 118.99 59.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.481 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.548 ' O ' ' HA ' ' A' ' 53' ' ' THR . 63.8 mt -102.62 124.37 56.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.283 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.44 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 17.5 mt -106.09 94.62 5.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.386 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.603 ' O ' ' HA ' ' A' ' 55' ' ' THR . 81.9 m-20 -103.42 108.96 20.41 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.966 -179.319 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.92 -165.69 14.44 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.282 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -78.37 -57.37 3.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.851 0.358 . . . . 0.0 111.083 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.467 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 7.7 p -106.59 7.27 30.63 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.561 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.519 HD12 ' CA ' ' A' ' 18' ' ' THR . 22.8 tp -136.19 135.49 39.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.084 0.468 . . . . 0.0 111.488 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -137.92 137.88 38.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.015 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -173.86 -176.16 42.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 119.932 -1.128 . . . . 0.0 113.691 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -143.24 141.94 31.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.881 0.372 . . . . 0.0 110.488 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.465 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -141.7 168.84 18.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.987 -179.454 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.401 ' C ' ' CD1' ' A' ' 12' ' ' LEU . 70.7 p -143.78 122.97 12.95 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.513 ' CA ' HD12 ' A' ' 12' ' ' LEU . 10.7 t -109.55 146.26 34.96 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.102 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -106.0 117.15 33.29 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.408 ' HB2' ' HA ' ' B' ' 26' ' ' ALA . . . -148.48 149.62 31.98 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.233 0.54 . . . . 0.0 111.974 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -51.09 -36.56 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.166 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -146.21 172.7 13.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.818 0.342 . . . . 0.0 111.346 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.1 -43.1 86.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.528 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.11 -54.86 35.23 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 77.1 p -52.42 -45.85 66.12 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.408 ' HA ' ' HB2' ' B' ' 20' ' ' ALA . . . -59.18 -53.34 59.38 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.194 177.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -49.37 -48.35 46.93 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.223 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.42 -46.64 87.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.121 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.468 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 89.0 t -55.29 -43.42 71.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.264 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.567 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 61.2 t -65.87 -49.28 78.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.425 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . 50.4 mtpt -53.7 -43.93 69.38 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.46 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.97 -37.87 83.93 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.567 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 53.2 t80 -52.83 -64.41 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.897 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.412 ' CZ ' HD21 ' B' ' 7' ' ' LEU . 31.9 m-85 -67.59 -39.82 84.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.132 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.479 ' ND2' ' CG2' ' A' ' 39' ' ' VAL . 30.9 t-20 -51.32 -38.92 55.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.596 0.712 . . . . 0.0 109.759 178.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.41 ' CB ' ' OE2' ' B' ' 56' ' ' GLU . 1.3 m-20 -94.67 -25.69 16.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.626 -1.17 . . . . 0.0 112.714 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.498 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.0 m-20 -77.13 -39.27 49.92 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.03 0.443 . . . . 0.0 110.213 179.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.35 -116.77 0.0 OUTLIER Glycine 0 CA--C 1.521 0.461 0 CA-C-N 114.504 -1.226 . . . . 0.0 115.829 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.481 ' CG2' ' ND2' ' A' ' 35' ' ' ASN . 61.7 t -83.79 -55.57 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 -175.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -88.73 25.71 1.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.42 149.2 51.61 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 119.722 -1.227 . . . . 0.0 112.044 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -78.03 91.64 4.28 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.798 0.299 . . . . 0.0 110.353 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.433 ' CZ3' HG13 ' A' ' 30' ' ' VAL . 8.7 m0 -101.53 125.12 48.13 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 72.2 p -107.77 139.98 41.52 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 12.9 t80 -112.7 141.07 46.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.042 0.449 . . . . 0.0 111.944 -178.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -123.66 82.98 2.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.158 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.99 -37.16 19.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.37 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -54.31 -32.48 56.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.566 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 77.2 p -115.44 7.67 15.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.678 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.456 ' HE2' ' CE2' ' A' ' 3' ' ' TYR . 11.9 mmmm 49.35 33.13 5.04 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.769 0.319 . . . . 0.0 110.751 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 91.0 m -125.18 153.51 42.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.173 0.511 . . . . 0.0 111.824 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 2.0 m-85 -121.66 143.91 49.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.917 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.547 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.0 p -122.36 128.52 51.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.116 0.484 . . . . 0.0 111.607 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.6 t -103.61 104.14 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.759 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 26.7 m -95.41 112.28 24.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.983 0.421 . . . . 0.0 111.959 -178.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.41 ' OE2' ' CB ' ' B' ' 36' ' ' ASP . 16.7 tp10 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.114 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.734 0.302 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -105.47 139.6 39.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.426 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.407 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 23.0 m-85 -123.59 145.06 49.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.762 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.502 ' O ' ' HA ' ' B' ' 51' ' ' THR . 53.6 tptt -102.08 103.59 14.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.169 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.453 ' HB ' HG21 ' A' ' 16' ' ' THR . 61.1 t -94.39 124.01 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.328 0.585 . . . . 0.0 111.502 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.444 HG23 ' ND2' ' A' ' 8' ' ' ASN . 73.4 mt -101.9 129.21 53.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.776 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mt -108.95 83.47 1.76 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.302 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.529 ' O ' ' HA ' ' B' ' 55' ' ' THR . 79.4 m-20 -90.23 111.06 22.1 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.07 -168.95 14.89 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.127 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.3 mtmp? -82.08 -58.11 3.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.99 0.424 . . . . 0.0 110.435 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.428 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 6.8 p -100.22 0.04 39.6 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.641 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.509 HD13 ' CA ' ' B' ' 18' ' ' THR . 16.3 tp -137.53 137.67 38.85 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -144.97 144.74 31.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.902 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.505 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.4 -167.24 37.13 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 119.816 -1.183 . . . . 0.0 113.323 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' HB3' ' HE3' ' A' ' 4' ' ' LYS . 40.0 mt-10 -148.59 155.3 40.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 110.63 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.502 ' HA ' ' HA3' ' B' ' 14' ' ' GLY . 0.0 OUTLIER -150.96 169.07 22.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.814 -179.67 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.8 p -143.08 118.65 10.39 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.518 ' CA ' HD13 ' B' ' 12' ' ' LEU . 11.9 t -106.18 143.22 34.62 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.571 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -104.28 114.91 29.47 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.44 ' HB3' ' HA ' ' A' ' 26' ' ' ALA . . . -149.16 152.63 36.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.349 0.595 . . . . 0.0 112.145 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.5 t -51.06 -37.63 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.088 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -143.84 169.25 18.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.062 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.407 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -56.56 -41.72 77.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.569 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.01 -54.71 34.06 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.4 p -52.47 -46.22 66.43 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.44 ' HA ' ' HB3' ' A' ' 20' ' ' ALA . . . -60.14 -52.13 66.63 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.136 178.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.408 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 89.3 tt0 -52.76 -48.74 66.57 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.712 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -57.67 -38.62 75.44 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.517 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.428 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 91.0 t -59.71 -37.27 70.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.407 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.46 ' CG1' ' CE2' ' A' ' 34' ' ' PHE . 20.6 t -66.21 -48.9 79.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.479 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.451 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 1.1 mptm? -48.05 -42.84 29.58 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.113 0.482 . . . . 0.0 110.131 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -69.42 -37.86 77.64 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.451 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 47.3 t80 -55.26 -56.77 16.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.242 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.46 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 25.1 m-85 -72.62 -42.27 64.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.575 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -48.88 -38.16 21.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.502 0.667 . . . . 0.0 110.11 178.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.52 -23.32 17.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.596 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.458 ' O ' ' C ' ' A' ' 38' ' ' GLY . 88.1 m-20 -78.34 -46.67 19.47 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -3.98 -121.88 0.0 OUTLIER Glycine 0 C--N 1.333 0.373 0 CA-C-N 114.734 -1.121 . . . . 0.0 115.657 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 43.5 t -111.66 4.08 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -176.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -125.0 13.75 8.45 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.872 -0.518 . . . . 0.0 112.215 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.45 178.62 51.6 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.911 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -97.28 100.97 12.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.818 0.342 . . . . 0.0 110.313 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.454 ' CH2' ' HD2' ' B' ' 31' ' ' LYS . 7.8 m0 -97.24 118.61 34.06 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.3 p -104.25 132.2 50.75 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 9.1 t80 -107.67 143.97 35.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 0.0 111.393 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -122.96 83.67 2.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.429 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 12.8 m-20 -47.62 -37.88 13.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.61 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.59 -32.12 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.139 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.4 p -128.24 15.12 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt 49.06 34.13 5.42 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.979 0.418 . . . . 0.0 110.056 -179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 86.7 m -113.19 141.7 46.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.836 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.509 ' CD1' ' CD1' ' A' ' 45' ' ' TYR . 96.7 m-85 -106.24 120.48 41.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.39 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -106.05 127.32 53.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.228 0.537 . . . . 0.0 111.624 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.6 t -113.97 112.77 41.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.488 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 10.0 m -99.67 113.88 26.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.023 0.44 . . . . 0.0 111.549 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.224 -0.893 . . . . 0.0 111.127 179.77 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.925 0.393 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -105.54 139.47 40.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.38 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -123.44 145.08 49.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.901 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 51' ' ' THR . 53.6 tptt -102.22 103.63 14.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.084 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.454 ' HB ' HG21 ' B' ' 16' ' ' THR . 61.5 t -94.27 124.05 46.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.292 0.567 . . . . 0.0 111.579 -179.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.441 HG23 ' ND2' ' B' ' 8' ' ' ASN . 73.4 mt -101.97 129.2 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.728 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mt -108.92 83.56 1.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.355 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.532 ' O ' ' HA ' ' A' ' 55' ' ' THR . 79.4 m-20 -90.31 111.17 22.27 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.03 -168.93 14.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.147 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.461 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.3 mtmp? -82.14 -58.05 3.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.004 0.431 . . . . 0.0 110.518 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.428 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 6.9 p -100.2 0.0 39.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.655 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.518 HD13 ' CA ' ' A' ' 18' ' ' THR . 16.3 tp -137.48 137.73 38.99 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -145.04 144.68 31.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.911 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.502 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.34 -167.3 37.26 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 119.868 -1.158 . . . . 0.0 113.347 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.452 ' HB3' ' HE3' ' B' ' 4' ' ' LYS . 40.1 mt-10 -148.54 155.36 41.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.033 0.444 . . . . 0.0 110.557 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.505 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -151.09 169.08 22.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.692 -179.717 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.5 p -143.01 118.55 10.37 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -178.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.509 ' CA ' HD13 ' A' ' 12' ' ' LEU . 11.9 t -106.12 143.21 34.57 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.646 178.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -104.25 114.86 29.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.508 0.194 . . . . 0.0 110.537 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.441 ' HB3' ' HA ' ' B' ' 26' ' ' ALA . . . -149.09 152.61 36.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.387 0.613 . . . . 0.0 112.169 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 20.7 t -51.09 -37.57 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.029 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -143.92 169.28 18.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.58 -41.76 77.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.632 -179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.93 -54.57 36.53 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 75.4 p -52.51 -46.08 66.51 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.441 ' HA ' ' HB3' ' B' ' 20' ' ' ALA . . . -60.33 -52.06 66.88 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.41 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 89.3 tt0 -52.69 -48.71 66.36 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -57.71 -38.74 75.78 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.48 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.428 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 90.6 t -59.66 -37.22 69.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.37 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.459 ' CG1' ' CE2' ' B' ' 34' ' ' PHE . 20.5 t -66.17 -48.9 79.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.454 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 1.1 mptm? -48.13 -42.8 30.24 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.954 0.407 . . . . 0.0 110.068 178.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -69.41 -37.76 77.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.45 ' CG ' HD21 ' A' ' 12' ' ' LEU . 47.0 t80 -55.19 -56.91 14.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.199 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.459 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 25.0 m-85 -72.65 -42.25 64.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.595 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -48.84 -38.16 21.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.392 0.615 . . . . 0.0 110.031 178.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.62 -23.28 17.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.93 -1.032 . . . . 0.0 112.572 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.462 ' O ' ' C ' ' B' ' 38' ' ' GLY . 88.0 m-20 -78.49 -46.39 19.75 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.11 -121.82 0.0 OUTLIER Glycine 0 C--N 1.333 0.373 0 CA-C-N 114.773 -1.103 . . . . 0.0 115.704 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' B' ' 39' ' ' VAL . 43.7 t -111.75 4.11 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -176.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -125.07 13.71 8.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.849 -0.532 . . . . 0.0 112.13 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.41 178.68 51.64 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.978 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -97.35 101.06 12.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.867 0.365 . . . . 0.0 110.233 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.451 ' CH2' ' HD2' ' A' ' 31' ' ' LYS . 7.9 m0 -97.42 118.65 34.37 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -178.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 60.0 p -104.3 132.17 50.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.56 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.515 ' CD1' ' CD1' ' B' ' 52' ' ' PHE . 9.2 t80 -107.66 144.13 35.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.902 0.382 . . . . 0.0 111.239 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -123.11 83.68 2.16 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 12.9 m-20 -47.77 -37.71 14.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.556 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.74 -32.0 12.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.143 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.0 p -128.28 15.07 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.403 ' HE3' ' CE2' ' A' ' 3' ' ' TYR . 31.8 mmmt 48.92 34.25 5.28 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.072 0.463 . . . . 0.0 110.039 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 87.5 m -113.22 141.69 46.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.799 -178.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.515 ' CD1' ' CD1' ' B' ' 45' ' ' TYR . 96.8 m-85 -106.16 120.35 41.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.487 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -106.07 127.3 53.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.309 0.576 . . . . 0.0 111.688 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.9 t -113.85 112.71 41.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.515 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.529 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 10.3 m -99.67 113.88 26.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.999 0.428 . . . . 0.0 111.574 -178.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.071 179.797 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.83 0.347 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -106.0 144.0 33.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.285 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -132.38 148.43 52.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.322 . . . . 0.0 110.86 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.475 ' O ' ' HA ' ' B' ' 51' ' ' THR . 28.9 ttpp -106.99 155.13 20.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.916 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.451 ' HB ' HG21 ' A' ' 16' ' ' THR . 55.0 t -137.2 128.18 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.29 0.567 . . . . 0.0 111.407 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 70.9 mt -94.98 113.86 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.275 179.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.435 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.4 mt -94.33 85.31 4.57 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.615 ' O ' ' HA ' ' B' ' 55' ' ' THR . 30.8 t-20 -95.2 106.96 19.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.531 -177.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.469 ' HA2' ' HG2' ' B' ' 56' ' ' GLU . . . -115.18 -170.29 16.23 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.266 -0.969 . . . . 0.0 112.373 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -76.26 -56.2 4.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.042 0.449 . . . . 0.0 110.452 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.455 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 4.1 p -107.36 6.84 28.74 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.152 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.491 HD12 ' CA ' ' B' ' 18' ' ' THR . 22.8 tp -138.39 138.55 38.34 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.185 0.517 . . . . 0.0 111.474 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.48 ' HB2' ' NZ ' ' A' ' 13' ' ' LYS . 10.4 mtmp? -145.25 146.11 31.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.392 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.445 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 177.32 -166.47 37.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.206 -0.997 . . . . 0.0 113.281 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -146.76 156.65 43.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 110.63 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.469 ' OG1' HD13 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -151.12 169.17 22.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.541 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.1 p -143.11 118.27 10.14 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.495 ' CA ' HD12 ' B' ' 12' ' ' LEU . 12.8 t -109.04 146.04 34.6 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.592 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -105.85 115.72 30.72 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.38 149.07 34.09 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 121.24 0.543 . . . . 0.0 111.732 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.3 t -50.88 -25.71 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.971 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -156.18 176.51 12.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.895 0.379 . . . . 0.0 111.4 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.81 96.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.395 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.04 -54.82 36.15 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 57.0 p -50.8 -45.65 59.42 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.68 -53.58 56.32 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.087 178.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.36 -47.56 62.74 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.651 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.61 -45.26 93.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.562 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.454 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 88.7 t -58.94 -40.15 79.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.418 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.565 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 58.1 t -64.76 -48.13 85.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.498 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 9.6 mtpm? -48.82 -51.26 30.4 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.024 0.44 . . . . 0.0 110.31 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.419 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 7.6 tt0 -60.3 -37.33 80.2 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.93 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.565 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 66.7 t80 -52.12 -55.77 18.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.812 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -72.1 -36.17 69.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.817 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.419 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 29.1 t-20 -50.06 -41.24 47.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.653 178.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -94.81 -22.76 17.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.816 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.8 m-20 -80.64 -46.68 15.25 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.079 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.86 -117.11 0.0 OUTLIER Glycine 0 CA--C 1.521 0.453 0 N-CA-C 115.539 0.975 . . . . 0.0 115.539 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.414 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 21.7 t -111.64 4.67 8.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.409 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -125.25 11.46 8.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 118.494 0.588 . . . . 0.0 112.091 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.62 176.13 54.22 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.993 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -94.52 98.62 10.97 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.717 0.294 . . . . 0.0 110.348 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.421 ' CZ3' HG11 ' B' ' 30' ' ' VAL . 10.7 m95 -94.36 115.17 27.35 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.7 p -109.31 136.81 48.15 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.492 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 8.3 t80 -110.73 144.46 39.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 111.534 -178.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -123.22 82.42 2.0 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.696 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.437 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 14.7 m-20 -45.9 -35.22 4.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.796 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.69 -33.34 15.56 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.9 p -128.11 16.5 6.72 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm 48.18 36.16 6.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.916 0.389 . . . . 0.0 110.597 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.476 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 93.9 m -127.24 140.13 52.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.594 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.492 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 6.3 m-85 -105.42 144.38 32.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.495 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -116.04 125.01 51.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.094 0.474 . . . . 0.0 110.75 178.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.6 t -108.37 111.69 37.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.325 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.618 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 23.2 m -102.03 113.96 27.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.745 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' HG2' ' HA2' ' B' ' 9' ' ' GLY . 19.1 pt-20 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.713 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.869 0.366 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -105.84 144.03 33.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.371 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -132.44 148.54 52.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.476 ' O ' ' HA ' ' A' ' 51' ' ' THR . 28.9 ttpp -107.04 155.17 20.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.918 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.444 ' HB ' HG21 ' B' ' 16' ' ' THR . 55.3 t -137.27 128.15 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.246 0.546 . . . . 0.0 111.377 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.402 HG13 ' CG2' ' A' ' 51' ' ' THR . 70.9 mt -94.9 113.93 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.24 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mt -94.37 85.26 4.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.618 ' O ' ' HA ' ' A' ' 55' ' ' THR . 30.9 t-20 -95.18 106.88 18.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.5 -177.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.473 ' HA2' ' HG2' ' A' ' 56' ' ' GLU . . . -115.19 -170.34 16.24 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.278 -0.963 . . . . 0.0 112.354 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.405 ' NZ ' ' HB3' ' B' ' 10' ' ' LYS . 5.4 mtpm? -76.23 -56.31 4.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.002 0.43 . . . . 0.0 110.403 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.454 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 4.1 p -107.2 6.69 28.93 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.2 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.495 HD12 ' CA ' ' A' ' 18' ' ' THR . 23.1 tp -138.24 138.6 38.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.145 0.498 . . . . 0.0 111.515 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.481 ' HB2' ' NZ ' ' B' ' 13' ' ' LYS . 10.4 mtmp? -145.3 146.08 31.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.391 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.444 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 177.37 -166.41 36.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.175 -1.012 . . . . 0.0 113.201 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -146.84 156.6 43.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 0.0 110.628 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.465 ' OG1' HD13 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -151.05 169.2 22.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.976 -179.551 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 55.0 p -143.09 118.36 10.2 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.491 ' CA ' HD12 ' A' ' 12' ' ' LEU . 12.9 t -109.15 145.94 34.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.569 178.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -105.77 115.66 30.61 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.32 149.04 34.11 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 121.144 0.497 . . . . 0.0 111.77 -179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.3 t -50.94 -25.64 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.981 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -156.19 176.49 12.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.926 0.393 . . . . 0.0 111.336 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.73 95.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.469 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 -54.69 37.35 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 57.3 p -50.94 -45.54 60.62 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.65 -53.6 56.17 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.176 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.23 -47.61 62.32 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.693 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.67 -45.15 94.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.566 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.455 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 86.5 t -59.08 -40.07 79.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.401 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.563 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 58.2 t -64.83 -48.06 85.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.498 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 9.6 mtpm? -48.82 -51.3 30.17 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.086 0.469 . . . . 0.0 110.294 178.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.416 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 7.6 tt0 -60.26 -37.46 80.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.79 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.563 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 66.5 t80 -52.05 -55.73 18.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.788 178.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -72.18 -36.13 69.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.807 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.416 ' HB3' ' HA ' ' B' ' 32' ' ' GLN . 29.1 t-20 -50.0 -41.37 46.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.637 178.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -94.72 -22.82 17.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.737 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.497 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.8 m-20 -80.56 -46.63 15.43 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.108 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.89 -117.16 0.0 OUTLIER Glycine 0 C--N 1.334 0.462 0 CA-C-N 114.995 -1.002 . . . . 0.0 115.591 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 21.7 t -111.55 4.65 8.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -176.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -125.29 11.47 8.11 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.799 -0.563 . . . . 0.0 112.006 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.6 176.02 54.24 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 120.493 -0.861 . . . . 0.0 113.019 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -94.43 98.6 10.99 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.748 0.309 . . . . 0.0 110.321 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.427 ' CZ3' HG11 ' A' ' 30' ' ' VAL . 10.7 m95 -94.4 115.16 27.32 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 62.8 p -109.25 136.77 48.17 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.493 ' CD1' ' CD2' ' B' ' 52' ' ' PHE . 8.2 t80 -110.71 144.51 39.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 111.531 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -123.24 82.39 1.99 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.735 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.439 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 14.8 m-20 -45.88 -35.33 4.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.721 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.65 -33.28 15.14 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -128.12 16.41 6.71 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm 48.27 36.16 6.51 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.919 0.39 . . . . 0.0 110.611 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 93.9 m -127.17 140.16 52.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.54 -179.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.493 ' CD2' ' CD1' ' B' ' 45' ' ' TYR . 6.4 m-85 -105.47 144.49 32.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.47 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -116.15 124.96 51.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.056 0.455 . . . . 0.0 110.769 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 44.5 t -108.22 111.77 37.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.255 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.615 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 22.9 m -102.04 113.93 27.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.773 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.469 ' HG2' ' HA2' ' A' ' 9' ' ' GLY . 19.2 pt-20 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.834 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.617 ' HG3' ' CE1' ' A' ' 3' ' ' TYR . 4.7 ppp? . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -97.86 125.91 42.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.88 0.371 . . . . 0.0 111.371 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.617 ' CE1' ' HG3' ' A' ' 1' ' ' MET . 1.3 m-85 -122.31 145.63 48.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.502 ' O ' ' HA ' ' B' ' 51' ' ' THR . 24.3 ttmm -110.97 107.65 17.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 111.455 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.699 ' HB ' HG23 ' A' ' 16' ' ' THR . 98.5 t -94.04 117.6 38.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.232 0.539 . . . . 0.0 110.585 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.472 HG13 ' CG2' ' B' ' 51' ' ' THR . 65.4 mt -94.42 130.0 43.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.36 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -107.99 92.26 3.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.431 -178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.585 ' O ' ' HA ' ' B' ' 55' ' ' THR . 6.0 m120 -97.21 106.67 19.03 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.907 -179.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.87 -171.18 18.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.297 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.5 mtmp? -76.64 -55.5 5.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.904 0.383 . . . . 0.0 110.77 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.486 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 3.2 p -107.62 6.53 27.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.187 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.501 HD12 ' HB ' ' B' ' 18' ' ' THR . 19.0 tp -138.36 138.68 38.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.095 0.474 . . . . 0.0 110.724 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -145.0 144.06 30.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.239 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.469 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.67 -168.24 37.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 119.982 -1.104 . . . . 0.0 113.373 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -150.17 143.08 24.8 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.341 0.591 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.699 HG23 ' HB ' ' A' ' 5' ' ' VAL . 4.0 t -136.02 169.08 18.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.773 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 76.9 p -142.96 119.24 10.85 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.5 ' HB ' HD12 ' B' ' 12' ' ' LEU . 14.3 t -109.68 144.44 38.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.577 178.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -106.82 113.84 27.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.608 0.242 . . . . 0.0 110.441 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.21 152.75 39.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.21 0.529 . . . . 0.0 112.053 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 17.1 t -50.59 -36.38 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.893 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.456 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 4.0 p-10 -142.55 166.92 23.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.2 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.421 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -57.1 -41.59 79.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.54 -54.81 30.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.89 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.456 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 20.6 p -52.89 -44.03 66.6 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -50.75 71.62 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.46 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 89.3 tt0 -54.99 -48.71 72.95 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.932 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -58.52 -39.35 79.89 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.353 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.483 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 97.2 t -59.95 -37.05 70.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.164 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.543 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 15.3 t -65.51 -47.88 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.419 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 1.0 OUTLIER -47.96 -44.1 29.97 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.144 0.497 . . . . 0.0 109.911 178.778 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.411 ' NE2' ' C ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -65.66 -37.0 85.3 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.461 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.543 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 60.8 t80 -55.8 -58.11 9.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.238 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.421 ' CE2' HG13 ' A' ' 30' ' ' VAL . 28.1 m-85 -72.51 -41.71 65.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.157 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -49.42 -38.32 28.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.492 0.663 . . . . 0.0 109.705 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.412 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 38.6 m-20 -94.62 -24.67 17.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.918 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.476 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.4 m-20 -78.37 -46.73 19.26 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -1.61 -121.28 0.0 OUTLIER Glycine 0 CA--C 1.519 0.339 0 CA-C-N 114.494 -1.23 . . . . 0.0 116.047 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.2 t -89.48 -43.79 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 115.899 1.815 . . . . 0.0 115.899 -175.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -99.37 28.67 4.4 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -177.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.63 169.83 54.13 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 119.926 -1.131 . . . . 0.0 111.74 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -91.06 95.74 10.25 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.887 0.343 . . . . 0.0 110.17 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.461 ' CH2' ' HD2' ' B' ' 31' ' ' LYS . 6.8 m0 -97.78 119.59 36.65 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.6 p -106.42 133.94 50.33 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 17.4 t80 -106.35 143.15 34.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.98 0.419 . . . . 0.0 111.828 -178.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -123.61 81.13 1.87 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.498 179.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.24 -35.46 7.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.502 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.23 -34.21 22.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.027 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.7 p -128.18 10.86 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.8 mttp 54.49 31.49 14.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.966 0.412 . . . . 0.0 110.567 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.506 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 95.9 m -105.0 148.7 26.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.352 -178.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.499 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 27.1 m-85 -122.58 96.23 4.95 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.296 0.57 . . . . 0.0 111.827 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -78.11 124.73 28.39 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.255 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.6 t -113.14 111.79 37.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.204 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.579 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 25.2 m -101.33 116.3 32.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.279 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' HG2' ' HB2' ' A' ' 36' ' ' ASP . 3.7 tm-20 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.623 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.619 ' HG3' ' CE1' ' B' ' 3' ' ' TYR . 4.7 ppp? . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -97.83 125.79 42.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.847 0.356 . . . . 0.0 111.446 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.619 ' CE1' ' HG3' ' B' ' 1' ' ' MET . 1.3 m-85 -122.17 145.61 48.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.41 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 51' ' ' THR . 24.3 ttmm -110.96 107.73 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.735 0.302 . . . . 0.0 111.408 -179.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.696 ' HB ' HG23 ' B' ' 16' ' ' THR . 97.7 t -94.22 117.73 38.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.369 0.604 . . . . 0.0 110.495 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.469 HG13 ' CG2' ' A' ' 51' ' ' THR . 66.0 mt -94.49 129.87 44.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.324 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -107.86 92.25 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.441 -178.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.579 ' O ' ' HA ' ' A' ' 55' ' ' THR . 6.0 m120 -97.14 106.62 18.98 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.926 -179.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.88 -171.22 18.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.36 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.454 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.5 mtmp? -76.66 -55.45 5.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.828 0.347 . . . . 0.0 110.778 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.483 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 3.3 p -107.58 6.51 28.01 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.22 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.5 HD12 ' HB ' ' A' ' 18' ' ' THR . 19.2 tp -138.43 138.66 38.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.009 0.433 . . . . 0.0 110.828 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -144.95 144.04 30.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.159 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.467 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.67 -168.09 37.39 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.055 -1.069 . . . . 0.0 113.406 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -150.23 143.11 24.76 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.362 0.601 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.696 HG23 ' HB ' ' B' ' 5' ' ' VAL . 4.0 t -136.05 169.11 18.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.752 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' B' ' 3' ' ' TYR . 76.1 p -142.97 119.23 10.83 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.501 ' HB ' HD12 ' A' ' 12' ' ' LEU . 14.1 t -109.69 144.49 37.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.548 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -106.74 113.78 27.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.556 0.217 . . . . 0.0 110.537 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.25 152.77 39.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.249 0.547 . . . . 0.0 111.93 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 17.1 t -50.65 -36.4 14.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.902 -178.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.455 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 4.0 p-10 -142.45 166.93 23.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.249 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.416 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -57.0 -41.77 79.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.44 -54.8 30.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.967 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.455 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 20.7 p -52.71 -44.15 66.13 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.48 -50.69 71.73 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.46 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 89.3 tt0 -55.03 -48.7 73.04 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.866 179.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -58.63 -39.32 80.19 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.431 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.486 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 97.6 t -60.04 -36.98 70.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.107 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.541 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 15.4 t -65.51 -47.89 84.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.461 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -47.92 -44.21 29.72 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.051 0.453 . . . . 0.0 109.886 178.751 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.409 ' NE2' ' C ' ' B' ' 32' ' ' GLN . 0.0 OUTLIER -65.57 -37.0 85.4 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.421 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.541 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 61.0 t80 -55.89 -58.0 9.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.202 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.418 ' CE2' HG13 ' B' ' 30' ' ' VAL . 28.1 m-85 -72.58 -41.6 65.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.185 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -49.45 -38.3 29.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.573 0.701 . . . . 0.0 109.759 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.417 ' HB2' ' HG2' ' B' ' 56' ' ' GLU . 38.9 m-20 -94.64 -24.75 17.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.801 -1.09 . . . . 0.0 112.763 -179.439 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.3 m-20 -78.44 -46.62 19.34 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -1.6 -121.36 0.0 OUTLIER Glycine 0 C--N 1.333 0.37 0 CA-C-N 114.52 -1.218 . . . . 0.0 116.016 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 63.6 t -89.44 -43.84 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -175.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -99.38 28.74 4.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.62 169.74 54.16 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.013 -1.089 . . . . 0.0 111.762 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -91.03 95.6 10.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 117.002 0.401 . . . . 0.0 110.26 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.466 ' CH2' ' HD2' ' A' ' 31' ' ' LYS . 6.8 m0 -97.69 119.66 36.67 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -178.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 53.0 p -106.52 134.07 50.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 17.4 t80 -106.41 143.26 34.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.025 0.44 . . . . 0.0 111.837 -178.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.6 t0 -123.6 81.12 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.484 179.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.24 -35.57 7.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.444 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.15 -34.19 21.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.05 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 74.7 p -128.22 10.93 6.38 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 mttp 54.56 31.42 14.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.028 0.442 . . . . 0.0 110.528 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 95.4 m -104.99 148.56 26.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.522 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.499 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 26.4 m-85 -122.53 96.11 4.9 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.314 0.578 . . . . 0.0 111.858 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -77.84 124.59 28.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.329 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.6 t -113.08 111.82 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.156 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.585 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 25.3 m -101.32 116.27 32.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.213 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.417 ' HG2' ' HB2' ' B' ' 36' ' ' ASP . 3.7 tm-20 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.651 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.572 ' HG3' ' CE1' ' A' ' 3' ' ' TYR . 2.2 tpt . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.797 0.332 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.417 ' N ' ' HE1' ' A' ' 1' ' ' MET . 41.2 tt0 -98.92 139.37 34.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.182 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.572 ' CE1' ' HG3' ' A' ' 1' ' ' MET . 67.2 m-85 -122.09 141.34 51.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.567 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -104.86 108.28 19.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.658 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.473 ' HB ' HG23 ' A' ' 16' ' ' THR . 60.7 t -95.05 136.45 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.206 0.526 . . . . 0.0 110.589 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.486 ' CG2' ' OD1' ' A' ' 8' ' ' ASN . 78.6 mt -110.95 128.34 67.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.278 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 mt -108.26 101.16 10.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.953 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.591 ' O ' ' HA ' ' B' ' 55' ' ' THR . 5.8 m120 -106.74 105.84 16.07 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.851 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.66 -167.63 19.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.532 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.472 ' N ' ' HE3' ' A' ' 10' ' ' LYS . 0.9 OUTLIER -71.32 -55.09 8.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.657 0.265 . . . . 0.0 111.168 -179.767 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.457 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 4.8 p -117.96 16.83 14.24 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.408 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.566 ' HB3' ' CD1' ' B' ' 33' ' ' PHE . 26.9 tp -141.55 139.39 33.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.102 0.477 . . . . 0.0 111.29 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -145.33 147.87 32.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.284 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.482 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.67 -176.0 43.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.004 -1.093 . . . . 0.0 113.751 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -136.27 135.16 38.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.824 0.345 . . . . 0.0 110.256 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.487 ' HA ' ' HA3' ' B' ' 14' ' ' GLY . 0.0 OUTLIER -134.25 166.25 23.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.038 -179.7 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.7 p -143.46 121.36 12.01 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.478 ' CA ' HD11 ' B' ' 12' ' ' LEU . 11.3 t -108.58 142.22 39.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.329 178.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' OE1' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -105.85 110.38 22.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.4 ' N ' ' OE1' ' A' ' 19' ' ' GLU . . . -142.55 152.96 43.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.223 0.535 . . . . 0.0 112.107 -179.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.0 t -50.86 -37.16 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.844 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 59.2 p30 -146.4 167.92 22.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.687 0.28 . . . . 0.0 111.111 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.95 -40.46 63.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.623 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.81 -55.13 29.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.202 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.436 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 45.7 p -52.94 -45.26 67.6 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.04 -53.08 62.07 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 5.1 tp10 -51.49 -49.91 60.92 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.839 179.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.468 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 4.3 mmmp? -59.16 -41.02 87.36 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.67 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.451 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 73.8 t -54.26 -40.96 49.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.328 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.51 ' CG1' ' CH2' ' B' ' 43' ' ' TRP . 39.4 t -64.53 -46.75 91.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.474 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HD2' ' CZ3' ' B' ' 43' ' ' TRP . 1.0 OUTLIER -49.63 -45.65 48.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.79 0.329 . . . . 0.0 110.658 178.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -69.12 -38.72 79.03 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' B' ' 12' ' ' LEU . 61.0 t80 -54.14 -55.78 24.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.718 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.499 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 25.6 m-85 -75.84 -39.04 57.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.592 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -50.9 -39.03 53.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.324 0.583 . . . . 0.0 110.001 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.449 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 34.2 m-20 -94.66 -26.5 16.3 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.073 -0.967 . . . . 0.0 113.388 -179.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.507 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 90.0 m-20 -75.68 -40.48 55.84 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.439 -0.504 . . . . 0.0 109.892 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.94 -119.91 0.0 OUTLIER Glycine 0 CA--C 1.521 0.453 0 CA-C-N 114.463 -1.244 . . . . 0.0 115.909 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.2 t -84.81 -55.51 6.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 -175.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -90.1 27.55 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -176.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.09 146.41 49.06 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 119.926 -1.131 . . . . 0.0 112.238 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.19 93.19 2.29 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.741 0.305 . . . . 0.0 110.225 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.514 ' CH2' ' CG1' ' B' ' 30' ' ' VAL . 10.3 m0 -105.69 128.9 53.94 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.0 p -110.3 140.08 44.84 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.434 ' CD2' ' OD1' ' A' ' 47' ' ' ASP . 5.9 t80 -109.89 142.03 41.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 0.0 111.777 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -123.63 81.97 1.96 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.644 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.434 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 13.6 m-20 -46.46 -35.15 5.34 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.554 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.02 -31.19 12.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.128 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.9 p -128.03 15.12 6.83 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HE2' ' HE2' ' B' ' 1' ' ' MET . 2.6 mtmp? 47.54 38.96 8.74 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.089 0.471 . . . . 0.0 110.657 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.451 ' CG2' HG13 ' B' ' 6' ' ' ILE . 88.0 m -125.33 144.44 50.49 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.643 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.458 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.5 m-85 -113.43 145.82 40.53 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.052 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -121.45 127.39 51.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.965 0.412 . . . . 0.0 111.024 178.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.447 HG23 ' CD2' ' A' ' 43' ' ' TRP . 45.3 t -107.64 113.31 43.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.463 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.583 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 23.5 m -101.26 109.32 21.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 111.413 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.452 ' OE1' ' C ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.54 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.527 ' HE3' ' HA ' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.86 0.362 . . . . 0.0 110.562 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -99.32 139.07 35.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.099 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -121.81 141.49 51.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.642 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -104.93 108.22 19.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.677 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.464 ' HB ' HG23 ' B' ' 16' ' ' THR . 60.3 t -95.07 136.46 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 121.185 0.516 . . . . 0.0 110.583 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.484 ' CG2' ' OD1' ' B' ' 8' ' ' ASN . 79.4 mt -110.91 128.27 67.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.35 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 mt -108.33 101.27 10.48 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.944 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.583 ' O ' ' HA ' ' A' ' 55' ' ' THR . 5.8 m120 -106.65 105.86 16.1 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.839 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.71 -167.57 19.19 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.467 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.474 ' HE3' ' N ' ' B' ' 10' ' ' LYS . 0.9 OUTLIER -71.21 -55.11 8.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.707 0.289 . . . . 0.0 111.26 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.451 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 4.7 p -118.03 16.77 14.18 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.282 -179.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.57 ' HB3' ' CD1' ' A' ' 33' ' ' PHE . 26.7 tp -141.59 139.42 33.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.027 0.441 . . . . 0.0 111.276 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -145.31 147.83 32.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.304 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.487 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.71 -176.1 43.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 119.892 -1.147 . . . . 0.0 113.602 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -136.14 135.14 38.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.923 0.392 . . . . 0.0 110.279 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.482 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -134.17 166.23 23.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.04 -179.772 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 47.1 p -143.44 121.24 11.93 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.478 ' CA ' HD11 ' A' ' 12' ' ' LEU . 11.2 t -108.42 142.23 39.09 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.343 178.387 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' B' ' 20' ' ' ALA . 0.0 OUTLIER -105.91 110.4 22.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.407 ' N ' ' OE1' ' B' ' 19' ' ' GLU . . . -142.57 153.01 43.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.19 0.519 . . . . 0.0 112.059 -179.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.0 t -50.87 -37.35 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.938 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.432 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 59.3 p30 -146.19 167.84 22.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.789 0.328 . . . . 0.0 111.051 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.93 -40.39 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.574 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.86 -55.06 29.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.168 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.432 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 45.5 p -53.06 -45.19 67.97 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.97 -53.18 60.82 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.445 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 5.1 tp10 -51.5 -49.78 61.2 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.933 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.464 ' NZ ' ' HB3' ' B' ' 28' ' ' LYS . 4.2 mmmp? -59.16 -41.03 87.42 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.768 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.457 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 72.5 t -54.26 -40.98 50.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.339 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.514 ' CG1' ' CH2' ' A' ' 43' ' ' TRP . 39.4 t -64.45 -46.77 91.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.544 179.041 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.463 ' HD2' ' CZ3' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -49.49 -45.76 47.37 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-O 120.873 0.368 . . . . 0.0 110.672 178.857 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -69.09 -38.87 79.21 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 12' ' ' LEU . 60.9 t80 -54.02 -55.75 24.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.755 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.5 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 25.5 m-85 -75.91 -39.09 56.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.525 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -50.74 -39.08 51.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.393 0.616 . . . . 0.0 110.003 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.441 ' HB2' ' HG2' ' B' ' 56' ' ' GLU . 34.0 m-20 -94.65 -26.56 16.29 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.055 -0.975 . . . . 0.0 113.365 -178.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.507 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 90.1 m-20 -75.75 -40.4 55.49 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 120.374 -0.53 . . . . 0.0 109.902 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.02 -119.81 0.0 OUTLIER Glycine 0 C--N 1.333 0.369 0 CA-C-N 114.636 -1.166 . . . . 0.0 115.989 179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -84.9 -55.54 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -175.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -90.03 27.38 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -176.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.95 146.37 49.15 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 119.958 -1.115 . . . . 0.0 112.148 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.13 93.14 2.26 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.51 ' CH2' ' CG1' ' A' ' 30' ' ' VAL . 10.4 m0 -105.67 129.06 53.97 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -178.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 77.8 p -110.37 140.17 44.84 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.43 ' CD2' ' OD1' ' B' ' 47' ' ' ASP . 5.9 t80 -109.95 141.83 42.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 111.781 -178.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.49 81.87 1.94 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.745 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.43 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 13.6 m-20 -46.38 -35.31 5.35 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.524 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.9 -31.26 11.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.283 -179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 73.9 p -127.99 15.34 6.84 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? 47.21 39.27 8.16 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.041 0.448 . . . . 0.0 110.71 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.454 ' CG2' HG13 ' A' ' 6' ' ' ILE . 87.0 m -125.35 144.36 50.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.661 -179.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' B' ' 52' ' ' PHE . 1.5 m-85 -113.43 145.83 40.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.043 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -121.5 127.45 51.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.958 0.409 . . . . 0.0 110.973 178.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.452 HG23 ' CD2' ' B' ' 43' ' ' TRP . 45.3 t -107.61 113.24 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.524 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.591 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 24.0 m -101.25 109.33 21.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 0.0 111.242 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.446 ' C ' ' OE1' ' B' ' 56' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.597 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.526 ' HE3' ' CZ ' ' A' ' 3' ' ' TYR . 5.7 ttp . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.748 0.309 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -99.08 132.25 44.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.334 -0.393 . . . . 0.0 109.946 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.526 ' CZ ' ' HE3' ' A' ' 1' ' ' MET . 70.8 m-85 -115.46 143.93 44.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.832 0.348 . . . . 0.0 110.797 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' B' ' 51' ' ' THR . 63.1 tttp -103.26 105.91 16.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.512 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.607 ' HB ' HG22 ' A' ' 16' ' ' THR . 90.3 t -94.62 112.82 27.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.3 0.571 . . . . 0.0 110.767 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.466 ' CG2' ' OD1' ' A' ' 8' ' ' ASN . 47.9 mt -94.94 127.87 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.786 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.41 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.9 mt -108.94 101.43 10.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.154 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.466 ' OD1' ' CG2' ' A' ' 6' ' ' ILE . 3.9 m120 -105.06 108.89 20.65 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' B' ' 56' ' ' GLU . . . -114.88 -176.21 18.72 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.7 178.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 12.6 mptt -76.54 -50.43 13.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.08 0.467 . . . . 0.0 110.322 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.45 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 10.4 p -106.21 1.77 26.34 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.497 -179.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.484 HD23 ' CG ' ' B' ' 33' ' ' PHE . 19.2 tp -137.0 137.56 39.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.279 0.561 . . . . 0.0 111.543 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 2.0 mppt? -143.51 143.12 31.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.764 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.437 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -174.03 -177.33 43.12 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 119.817 -1.182 . . . . 0.0 113.393 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -140.09 136.02 33.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.495 -0.353 . . . . 0.0 110.197 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.607 HG22 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -135.33 165.26 25.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.757 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.3 p -143.37 119.15 10.51 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.476 ' CA ' HD13 ' B' ' 12' ' ' LEU . 11.6 t -106.95 145.91 31.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.359 178.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -106.58 111.2 23.64 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.37 152.13 42.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.203 0.525 . . . . 0.0 111.909 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.8 t -50.86 -29.63 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.889 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.7 p30 -154.1 178.03 10.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.918 0.39 . . . . 0.0 111.391 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.99 94.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.729 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.83 -54.21 45.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.311 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 41.4 p -51.11 -45.14 61.44 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.01 -53.86 52.84 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -52.29 -47.92 65.63 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.769 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -59.62 -43.89 93.65 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.073 0.463 . . . . 0.0 109.906 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.449 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 83.1 t -60.62 -38.11 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.476 179.376 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.49 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 15.6 t -67.61 -49.85 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.477 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.507 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 27.9 mmtm -46.15 -51.79 13.44 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 121.158 0.504 . . . . 0.0 109.836 178.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.515 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -62.01 -35.36 78.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.725 179.084 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.515 ' N ' ' NE2' ' A' ' 32' ' ' GLN . 49.8 t80 -56.19 -61.39 2.42 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.232 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.408 ' CE2' HG13 ' A' ' 30' ' ' VAL . 26.8 m-85 -69.42 -39.63 77.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.823 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 32.5 t-20 -49.58 -38.99 33.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.516 0.674 . . . . 0.0 109.797 178.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.7 -23.03 17.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.587 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.474 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.0 m-20 -79.92 -46.6 16.46 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.961 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.08 -118.2 0.0 OUTLIER Glycine 0 CA--C 1.521 0.441 0 CA-C-N 114.949 -1.023 . . . . 0.0 115.51 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.422 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 26.3 t -111.91 5.04 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -176.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -123.63 12.33 9.25 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.763 -0.585 . . . . 0.0 112.152 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.99 177.98 53.19 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.849 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -97.51 100.38 11.8 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.508 ' CH2' ' HD3' ' B' ' 31' ' ' LYS . 9.7 m95 -97.18 120.26 37.21 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.8 p -110.16 136.92 48.64 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.504 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 22.8 t80 -111.56 146.98 36.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.155 0.503 . . . . 0.0 112.268 -178.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -123.56 81.61 1.92 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.135 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.91 -36.09 7.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.187 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.11 -37.08 32.36 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.3 p -128.83 12.25 6.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.733 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.463 ' HG2' ' CE ' ' B' ' 1' ' ' MET . 3.5 mppt? 54.75 29.04 11.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.011 0.434 . . . . 0.0 110.345 -178.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 88.1 m -97.78 134.4 40.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.604 -179.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 25.7 m-85 -112.14 128.54 56.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.999 179.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -110.08 92.69 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.326 0.584 . . . . 0.0 111.649 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 51.4 t -82.99 118.48 30.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.452 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 m -85.23 160.78 19.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.246 0.546 . . . . 0.0 111.962 -178.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' HB2' ' CA ' ' B' ' 9' ' ' GLY . 45.9 tt0 . . . . . 0 C--O 1.249 1.065 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.871 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.523 ' HE3' ' CZ ' ' B' ' 3' ' ' TYR . 5.6 ttp . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.818 0.342 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -99.05 132.22 44.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.055 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.523 ' CZ ' ' HE3' ' B' ' 1' ' ' MET . 71.0 m-85 -115.45 144.1 44.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.329 . . . . 0.0 110.796 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 51' ' ' THR . 63.2 tttp -103.36 105.79 16.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.538 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.603 ' HB ' HG22 ' B' ' 16' ' ' THR . 88.6 t -94.61 112.81 27.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.376 0.608 . . . . 0.0 110.804 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.471 ' CG2' ' OD1' ' B' ' 8' ' ' ASN . 47.8 mt -95.0 127.88 46.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.721 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.9 mt -109.0 101.45 10.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.063 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.471 ' OD1' ' CG2' ' B' ' 6' ' ' ILE . 3.9 m120 -105.08 108.91 20.68 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' A' ' 56' ' ' GLU . . . -114.89 -176.26 18.72 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.451 -0.88 . . . . 0.0 111.692 178.469 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' B' ' 10' ' ' LYS . 12.6 mptt -76.56 -50.35 14.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.049 0.452 . . . . 0.0 110.332 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.449 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 10.4 p -106.16 1.64 26.36 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.46 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.484 HD23 ' CG ' ' A' ' 33' ' ' PHE . 19.1 tp -136.91 137.4 39.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.228 0.537 . . . . 0.0 111.597 -179.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.43 ' HD3' ' N ' ' B' ' 13' ' ' LYS . 2.0 mppt? -143.37 143.1 31.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.779 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.441 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -174.0 -177.36 43.12 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 119.906 -1.14 . . . . 0.0 113.517 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -140.05 135.89 33.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.289 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.603 HG22 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -135.16 165.39 25.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.735 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 64.0 p -143.52 119.1 10.38 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -178.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.465 ' CA ' HD13 ' A' ' 12' ' ' LEU . 11.7 t -106.95 145.81 31.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.376 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -106.53 111.23 23.69 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -142.41 152.2 42.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.28 0.562 . . . . 0.0 111.877 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.9 t -50.9 -29.6 7.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.833 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -154.1 178.01 10.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.869 0.366 . . . . 0.0 111.489 179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.0 94.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.714 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.83 -54.34 43.53 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 41.4 p -50.99 -45.16 60.99 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.92 -54.02 51.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -52.27 -47.9 65.58 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.7 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -59.65 -43.91 93.74 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.064 0.459 . . . . 0.0 109.908 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.45 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 83.2 t -60.57 -38.16 77.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.499 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.489 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 15.7 t -67.58 -49.84 66.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.508 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 27.9 mmtm -46.1 -51.88 13.09 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.335 0.588 . . . . 0.0 109.87 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.517 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -62.0 -35.38 78.37 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.716 179.14 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.517 ' N ' ' NE2' ' B' ' 32' ' ' GLN . 50.1 t80 -56.18 -61.37 2.44 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.243 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -69.44 -39.65 77.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.801 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' B' ' 31' ' ' LYS . 32.6 t-20 -49.62 -38.99 34.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.45 0.643 . . . . 0.0 109.818 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.68 -22.98 17.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.517 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.478 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.0 m-20 -79.96 -46.63 16.34 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.902 179.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.11 -118.12 0.0 OUTLIER Glycine 0 C--N 1.333 0.396 0 CA-C-N 114.887 -1.051 . . . . 0.0 115.539 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.428 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 25.9 t -111.9 5.01 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -176.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -123.65 12.3 9.23 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.764 -0.585 . . . . 0.0 112.111 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.07 177.89 53.11 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.415 -0.897 . . . . 0.0 112.855 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -97.44 100.52 11.95 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.507 ' CH2' ' HD3' ' A' ' 31' ' ' LYS . 9.7 m95 -97.18 120.25 37.18 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.207 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 38.8 p -110.1 136.96 48.53 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.508 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 22.8 t80 -111.64 147.05 36.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.152 0.501 . . . . 0.0 112.131 -178.344 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -123.61 81.46 1.9 Allowed 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.165 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.9 -36.12 7.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.111 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.92 -37.22 30.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.3 p -128.78 12.17 6.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.754 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.465 ' HG2' ' CE ' ' A' ' 1' ' ' MET . 3.5 mppt? 54.88 29.05 11.34 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.865 0.364 . . . . 0.0 110.23 -178.604 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 87.5 m -97.9 134.33 41.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.487 -178.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.508 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 25.5 m-85 -112.01 128.55 56.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.042 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -110.17 92.74 4.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.44 0.638 . . . . 0.0 111.62 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 51.7 t -83.02 118.49 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.47 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 7.4 m -85.32 160.81 19.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.365 0.603 . . . . 0.0 111.856 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.436 ' HB2' ' CA ' ' A' ' 9' ' ' GLY . 45.8 tt0 . . . . . 0 C--O 1.247 0.944 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.976 179.443 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 N--CA 1.484 1.274 0 CA-C-O 120.803 0.335 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -107.01 143.85 34.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 179.584 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.426 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 10.2 m-85 -128.06 146.86 50.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.73 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.432 ' O ' ' CG2' ' B' ' 51' ' ' THR . 62.8 tttp -103.85 109.18 20.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.675 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 16' ' ' THR . 57.4 t -94.61 131.45 41.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.462 179.861 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.419 HG13 ' CG2' ' B' ' 51' ' ' THR . 70.7 mt -104.7 116.14 47.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.26 -179.529 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.521 ' CD2' ' CZ ' ' A' ' 34' ' ' PHE . 63.1 mt -94.53 83.44 4.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.434 179.272 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.551 ' O ' ' HA ' ' B' ' 55' ' ' THR . 34.7 t-20 -94.93 107.77 19.8 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.799 -177.717 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.83 -170.69 15.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.184 179.165 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -82.81 -55.15 4.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.261 0.553 . . . . 0.0 110.046 179.469 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.406 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 5.6 p -100.12 -2.12 34.99 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.007 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.511 HD13 ' CA ' ' B' ' 18' ' ' THR . 16.7 tp -131.76 132.71 44.04 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.085 0.469 . . . . 0.0 111.37 -179.355 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -131.75 128.33 38.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.747 -179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -166.49 175.92 41.78 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 119.626 -1.273 . . . . 0.0 113.82 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -140.19 140.46 35.88 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 179.36 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -137.62 167.42 21.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 -179.407 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 71.3 p -143.89 119.73 10.58 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.518 ' CA ' HD13 ' B' ' 12' ' ' LEU . 9.9 t -106.56 145.03 32.38 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.551 178.393 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -105.75 117.08 33.09 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.14 153.71 38.11 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.278 0.561 . . . . 0.0 112.167 -179.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.0 t -50.63 -28.1 5.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.167 -178.737 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -155.17 171.24 20.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.709 0.29 . . . . 0.0 111.292 179.384 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.426 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -57.56 -41.79 81.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.464 -179.316 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.66 -54.36 36.95 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.437 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.2 p -52.19 -45.74 65.28 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.498 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.73 -51.69 68.28 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.398 178.137 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 8.5 tm-20 -53.34 -46.06 69.36 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.418 178.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -62.04 -43.3 99.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.262 179.354 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.408 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 86.6 t -58.13 -40.42 77.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.235 179.518 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.506 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 65.4 t -61.89 -45.94 97.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.58 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 2.1 mmmp? -48.34 -52.36 21.97 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.244 0.545 . . . . 0.0 110.111 179.077 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -57.7 -38.12 74.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.783 179.492 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.517 ' CZ ' ' HB3' ' B' ' 7' ' ' LEU . 37.7 t80 -52.86 -65.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.06 179.447 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.521 ' CZ ' ' CD2' ' A' ' 7' ' ' LEU . 27.5 m-85 -66.07 -38.1 87.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.47 179.434 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.421 ' ND2' ' CG2' ' B' ' 39' ' ' VAL . 33.4 t-20 -50.5 -39.93 49.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.468 0.651 . . . . 0.0 110.136 178.693 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -94.74 -22.94 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.907 -1.042 . . . . 0.0 112.462 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.0 m-20 -78.41 -46.03 20.86 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.193 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -3.84 -118.57 0.0 OUTLIER Glycine 0 CA--C 1.518 0.255 0 CA-C-N 114.587 -1.188 . . . . 0.0 115.687 179.711 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.416 ' CG2' ' ND2' ' B' ' 35' ' ' ASN . 26.3 t -104.91 -1.3 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -175.921 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -125.41 16.72 8.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 119.285 0.948 . . . . 0.0 112.167 -179.576 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.3 165.06 53.8 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.23 -179.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -92.01 100.14 12.84 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.857 0.361 . . . . 0.0 110.036 179.432 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.466 ' CH2' ' HD2' ' B' ' 31' ' ' LYS . 9.4 m0 -101.92 122.88 44.86 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -178.277 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 76.8 p -111.36 140.32 46.04 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.119 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.518 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 7.2 t80 -111.74 142.57 43.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 111.59 -178.864 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -123.18 82.96 2.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.657 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.437 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 54.3 m-20 -45.89 -34.59 3.96 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.502 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.82 -31.87 12.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.126 -178.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.2 p -128.07 16.32 6.74 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.537 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt 48.26 38.15 9.7 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.434 ' CG2' ' O ' ' B' ' 4' ' ' LYS . 83.4 m -127.6 141.57 51.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.084 0.469 . . . . 0.0 112.137 -178.466 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.518 ' CD2' ' CD1' ' A' ' 45' ' ' TYR . 87.1 m-85 -106.61 144.12 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.647 178.66 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 p -120.92 124.92 46.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.193 0.521 . . . . 0.0 111.88 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.9 t -104.93 110.76 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.096 178.429 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.554 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 12.4 m -102.29 115.15 29.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.071 0.463 . . . . 0.0 112.164 -178.35 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.061 179.644 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.941 0.4 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -106.91 143.8 34.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.416 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.418 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 9.9 m-85 -127.95 146.86 50.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.793 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.434 ' O ' ' CG2' ' A' ' 51' ' ' THR . 62.9 tttp -103.75 109.12 20.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.664 -179.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' B' ' 16' ' ' THR . 56.8 t -94.63 131.39 41.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.515 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.427 HG13 ' CG2' ' A' ' 51' ' ' THR . 70.8 mt -104.63 116.15 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.109 0.48 . . . . 0.0 111.317 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.521 ' CD2' ' CZ ' ' B' ' 34' ' ' PHE . 63.1 mt -94.48 83.34 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.431 179.287 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.554 ' O ' ' HA ' ' A' ' 55' ' ' THR . 34.6 t-20 -94.9 107.81 19.85 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.779 -177.738 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.85 -170.64 15.52 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.194 179.082 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -82.87 -55.08 4.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.241 0.543 . . . . 0.0 110.144 179.456 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.408 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 5.7 p -100.16 -1.96 35.28 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.039 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.518 HD13 ' CA ' ' A' ' 18' ' ' THR . 16.8 tp -131.86 132.68 43.87 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.217 0.532 . . . . 0.0 111.384 -179.457 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -131.7 128.24 38.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.798 -179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.431 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -166.51 175.83 41.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 119.63 -1.271 . . . . 0.0 113.854 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -140.16 140.42 35.93 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.359 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.433 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -137.48 167.38 21.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.151 -179.376 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 72.0 p -143.87 119.78 10.62 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.031 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.511 ' CA ' HD13 ' A' ' 12' ' ' LEU . 9.8 t -106.65 145.07 32.41 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.466 178.439 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -105.75 117.15 33.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.626 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.19 153.61 37.9 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.213 0.53 . . . . 0.0 112.217 -179.228 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 25.2 t -50.6 -28.03 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.196 -178.722 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -155.15 171.2 20.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.352 . . . . 0.0 111.158 179.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.418 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -57.59 -41.72 81.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.553 -179.457 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.61 -54.57 33.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.398 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 75.0 p -52.04 -45.83 64.82 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.507 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.68 -51.69 68.28 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.359 178.184 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 8.4 tm-20 -53.35 -46.13 69.4 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.401 178.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -61.97 -43.3 99.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.287 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.406 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 87.0 t -58.15 -40.35 76.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.356 179.431 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.505 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 65.0 t -61.85 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 178.467 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.466 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 2.1 mmmp? -48.41 -52.39 22.22 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.142 0.496 . . . . 0.0 110.034 179.121 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -57.6 -38.27 74.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.88 179.487 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 7' ' ' LEU . 36.9 t80 -52.62 -65.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.128 179.336 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.521 ' CZ ' ' CD2' ' B' ' 7' ' ' LEU . 27.5 m-85 -66.15 -38.04 87.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.496 179.443 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.416 ' ND2' ' CG2' ' A' ' 39' ' ' VAL . 33.5 t-20 -50.51 -39.99 50.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.427 0.632 . . . . 0.0 110.134 178.621 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -94.77 -22.78 17.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.99 -1.004 . . . . 0.0 112.452 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.465 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.0 m-20 -78.47 -46.02 20.69 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.197 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -3.83 -118.62 0.0 OUTLIER Glycine 0 C--N 1.332 0.329 0 CA-C-N 114.587 -1.188 . . . . 0.0 115.639 179.681 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.421 ' CG2' ' ND2' ' A' ' 35' ' ' ASN . 26.9 t -104.97 -1.1 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -175.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -125.52 16.79 8.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 119.165 0.893 . . . . 0.0 112.148 -179.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.24 165.07 53.84 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.209 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -92.11 100.17 12.85 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.894 0.378 . . . . 0.0 110.174 179.285 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.466 ' CH2' ' HD2' ' A' ' 31' ' ' LYS . 9.4 m0 -101.86 122.88 44.83 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.177 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 76.7 p -111.35 140.42 45.94 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.092 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.52 ' CD1' ' CD2' ' B' ' 52' ' ' PHE . 7.2 t80 -111.75 142.59 43.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.854 0.359 . . . . 0.0 111.643 -178.955 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -123.13 82.98 2.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.686 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.435 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 53.9 m-20 -45.87 -34.6 3.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.595 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.8 -31.83 12.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.244 -178.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 74.1 p -128.0 16.24 6.79 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.534 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt 48.17 38.26 9.61 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.933 0.397 . . . . 0.0 110.391 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' A' ' 4' ' ' LYS . 84.0 m -127.7 141.6 51.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.07 -178.371 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.52 ' CD2' ' CD1' ' B' ' 45' ' ' TYR . 87.6 m-85 -106.66 144.26 33.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.498 178.724 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.3 p -121.04 124.86 45.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.252 0.549 . . . . 0.0 111.861 179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 78.3 t -104.88 110.67 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.128 178.428 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.551 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 12.0 m -102.18 114.99 29.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.451 . . . . 0.0 112.14 -178.308 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.311 -0.852 . . . . 0.0 111.071 179.558 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HG2' ' N ' ' A' ' 2' ' ' GLN . 28.1 ttt . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.826 0.346 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.41 ' N ' ' HG2' ' A' ' 1' ' ' MET . 8.3 tt0 -103.29 138.12 40.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.141 179.351 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -124.07 146.08 48.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 0.0 111.117 -179.684 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' B' ' 51' ' ' THR . 1.4 tmtp? -97.77 107.71 20.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.025 -179.799 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.461 ' O ' HG21 ' A' ' 16' ' ' THR . 58.1 t -96.54 124.09 49.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.118 0.485 . . . . 0.0 111.243 -179.561 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' B' ' 53' ' ' THR . 74.4 mt -105.6 125.67 60.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.303 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mt -108.78 103.48 12.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.699 0.285 . . . . 0.0 110.748 -178.906 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.574 ' O ' ' HA ' ' B' ' 55' ' ' THR . 5.7 m120 -109.27 108.76 19.47 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.373 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.404 ' HA2' ' CB ' ' B' ' 56' ' ' GLU . . . -111.97 -170.04 18.44 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.63 179.557 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -71.58 -55.49 7.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.952 0.406 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.473 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 3.0 p -114.85 13.23 17.1 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.353 -179.177 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.533 HD11 ' CA ' ' B' ' 18' ' ' THR . 28.5 tp -139.43 139.58 37.12 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.952 0.406 . . . . 0.0 111.276 -179.44 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -145.11 145.48 31.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.317 179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.467 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.31 -172.1 39.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 119.891 -1.147 . . . . 0.0 113.567 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.403 ' HB3' ' CE ' ' A' ' 4' ' ' LYS . 53.6 mt-10 -142.76 137.9 30.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.483 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.473 ' HA ' ' HA3' ' B' ' 14' ' ' GLY . 0.0 OUTLIER -138.54 168.14 20.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.108 -179.579 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 58.5 p -143.26 119.57 10.89 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.855 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.529 ' CA ' HD11 ' B' ' 12' ' ' LEU . 13.3 t -104.53 138.38 40.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.88 178.786 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -100.26 110.23 22.47 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.71 149.73 34.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.173 0.511 . . . . 0.0 111.868 -179.333 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -50.96 -36.88 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.772 -178.875 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.432 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 7.3 p-10 -145.65 169.73 17.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.904 0.383 . . . . 0.0 111.364 179.697 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.37 -41.58 72.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.367 -179.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.67 -54.45 39.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.253 179.591 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.432 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 35.0 p -53.07 -44.25 67.36 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.348 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.75 -53.66 55.32 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.133 177.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 89.0 tt0 -50.68 -49.31 57.63 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.52 179.132 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -59.14 -44.96 92.09 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.192 0.52 . . . . 0.0 109.683 179.053 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.473 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 51.0 t -56.39 -43.23 76.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.567 179.136 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.49 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 21.2 t -65.58 -48.79 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.706 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.595 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 27.7 mmtm -46.72 -48.56 20.3 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 121.178 0.513 . . . . 0.0 109.906 178.881 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.507 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -63.71 -35.5 80.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.823 179.017 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' B' ' 12' ' ' LEU . 61.4 t80 -56.39 -57.72 11.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.37 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -75.4 -40.59 57.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.54 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.418 ' ND2' ' CG2' ' B' ' 39' ' ' VAL . 24.8 t-20 -49.52 -37.79 28.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.55 0.69 . . . . 0.0 109.875 178.689 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.42 ' CB ' ' OE2' ' A' ' 56' ' ' GLU . 1.5 m-20 -94.64 -24.21 17.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.722 -1.127 . . . . 0.0 112.805 -179.52 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 85.5 m-20 -76.92 -43.66 34.69 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.024 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.35 -119.77 0.0 OUTLIER Glycine 0 C--N 1.333 0.362 0 CA-C-N 114.48 -1.237 . . . . 0.0 116.042 179.802 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.413 ' CG2' ' ND2' ' B' ' 35' ' ' ASN . 91.5 t -84.37 -55.32 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -175.682 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -89.25 27.28 1.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -176.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.09 156.62 53.57 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 119.901 -1.142 . . . . 0.0 112.038 179.301 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -87.14 99.05 11.64 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.83 0.315 . . . . 0.0 110.156 179.398 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.593 ' CH2' ' HD3' ' B' ' 31' ' ' LYS . 6.4 m0 -104.92 125.29 50.77 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -178.091 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.0 p -108.84 138.27 45.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.516 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.492 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 8.0 t80 -112.45 142.97 44.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.034 0.445 . . . . 0.0 111.56 -178.851 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.63 84.34 2.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.695 179.587 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 15.4 m-20 -47.74 -36.13 10.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.619 -179.672 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.89 -32.71 15.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.115 -179.111 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.7 p -128.11 13.72 6.73 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.65 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 49.22 33.26 4.91 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.554 -179.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.507 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 96.5 m -113.66 146.02 40.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.127 0.489 . . . . 0.0 111.763 -178.884 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.492 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 1.8 m-85 -116.61 137.29 52.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.008 179.465 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.529 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -119.48 127.7 53.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.185 0.517 . . . . 0.0 111.775 179.381 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -107.48 107.25 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.544 178.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.571 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 10.1 m -94.52 108.44 20.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.057 0.456 . . . . 0.0 111.801 -178.767 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' OE2' ' CB ' ' A' ' 36' ' ' ASP . 16.3 tp10 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.995 179.582 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.41 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 28.1 ttt . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.778 0.323 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.41 ' N ' ' HG2' ' B' ' 1' ' ' MET . 8.3 tt0 -103.2 138.14 40.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.085 179.35 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -124.11 146.09 48.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.961 0.41 . . . . 0.0 111.122 -179.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 51' ' ' THR . 1.4 tmtp? -97.91 107.9 20.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.05 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.464 ' O ' HG21 ' B' ' 16' ' ' THR . 57.7 t -96.58 124.01 49.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.079 0.466 . . . . 0.0 111.317 -179.481 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.529 ' O ' ' HA ' ' A' ' 53' ' ' THR . 74.7 mt -105.66 125.64 61.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.21 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.7 mt -108.76 103.49 12.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.738 0.304 . . . . 0.0 110.742 -178.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.571 ' O ' ' HA ' ' A' ' 55' ' ' THR . 5.7 m120 -109.28 108.75 19.46 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.438 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.402 ' HA2' ' CB ' ' A' ' 56' ' ' GLU . . . -111.96 -170.03 18.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.546 179.593 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -71.62 -55.52 7.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.935 0.398 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.473 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 3.0 p -114.75 13.2 17.23 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.294 -179.143 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.529 HD11 ' CA ' ' A' ' 18' ' ' THR . 28.8 tp -139.49 139.49 36.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.001 0.429 . . . . 0.0 111.222 -179.305 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -144.99 145.49 31.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.348 179.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.473 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.3 -172.18 39.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 119.931 -1.128 . . . . 0.0 113.638 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.402 ' HB3' ' CE ' ' B' ' 4' ' ' LYS . 53.7 mt-10 -142.69 137.99 30.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.972 0.415 . . . . 0.0 110.496 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.467 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -138.58 168.17 20.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.086 -179.541 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 58.0 p -143.44 119.46 10.68 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -178.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.533 ' CA ' HD11 ' A' ' 12' ' ' LEU . 13.4 t -104.27 138.35 40.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.935 178.773 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -100.24 110.19 22.43 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.68 149.72 34.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.267 0.556 . . . . 0.0 111.814 -179.215 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.08 -36.68 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.848 -178.852 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.435 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 7.3 p-10 -145.82 169.78 17.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.914 0.388 . . . . 0.0 111.275 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.48 -41.49 73.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.367 -179.619 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.62 -54.49 38.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.205 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.435 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 34.4 p -53.13 -44.18 67.51 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.501 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.84 -53.7 54.8 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 178.005 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -50.53 -49.33 56.13 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.585 179.029 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -59.17 -44.96 92.16 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.085 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.473 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 50.7 t -56.42 -43.16 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.584 179.146 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.488 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 21.3 t -65.7 -48.74 81.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.728 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.593 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 27.8 mmtm -46.68 -48.53 20.08 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.088 0.471 . . . . 0.0 109.934 178.721 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.508 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -63.83 -35.46 80.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.753 179.1 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.514 ' CD1' ' HB3' ' A' ' 12' ' ' LEU . 61.2 t80 -56.32 -57.79 10.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.393 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -75.4 -40.75 57.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.438 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.413 ' ND2' ' CG2' ' A' ' 39' ' ' VAL . 24.9 t-20 -49.4 -37.74 26.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.552 0.691 . . . . 0.0 109.976 178.644 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.418 ' CB ' ' OE2' ' B' ' 56' ' ' GLU . 1.5 m-20 -94.74 -24.07 17.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.728 -1.123 . . . . 0.0 112.756 -179.501 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 85.4 m-20 -77.08 -43.63 33.63 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.062 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.25 -119.77 0.0 OUTLIER Glycine 0 C--N 1.333 0.4 0 CA-C-N 114.398 -1.274 . . . . 0.0 116.09 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.418 ' CG2' ' ND2' ' A' ' 35' ' ' ASN . 89.6 t -84.38 -55.39 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -175.692 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -89.16 27.14 1.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -176.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.89 156.68 53.49 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 119.939 -1.124 . . . . 0.0 111.989 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -87.28 99.06 11.69 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.319 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.595 ' CH2' ' HD3' ' A' ' 31' ' ' LYS . 6.5 m0 -105.03 125.39 50.93 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.018 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.0 p -108.88 138.32 45.41 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.637 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.497 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 8.1 t80 -112.46 142.89 44.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.914 0.388 . . . . 0.0 111.582 -178.814 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -123.6 84.39 2.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.636 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.429 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 15.6 m-20 -47.92 -35.95 11.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.629 -179.619 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.98 -32.65 15.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 112.149 -179.197 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 79.2 p -128.27 13.99 6.66 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 49.24 33.16 4.85 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.903 0.382 . . . . 0.0 110.536 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.506 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 96.6 m -113.59 145.93 40.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.821 -178.841 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.497 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 1.8 m-85 -116.6 137.35 52.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.99 179.425 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.53 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -119.56 127.65 53.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.148 0.499 . . . . 0.0 111.782 179.377 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.2 t -107.37 107.24 22.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.575 178.945 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.574 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 10.3 m -94.55 108.53 20.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.009 0.433 . . . . 0.0 111.678 -178.675 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.418 ' OE2' ' CB ' ' B' ' 36' ' ' ASP . 16.4 tp10 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.997 179.535 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.931 0.396 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -112.84 155.04 25.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.252 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -134.11 149.15 51.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.743 0.306 . . . . 0.0 110.988 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.464 ' HB2' ' NZ ' ' A' ' 4' ' ' LYS . 4.8 ttmp? -107.8 110.88 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.504 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.418 ' HB ' HG21 ' A' ' 16' ' ' THR . 62.0 t -94.43 134.89 30.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.311 0.577 . . . . 0.0 111.385 -179.53 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.434 HG13 ' CG2' ' B' ' 51' ' ' THR . 74.0 mt -104.39 116.43 48.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.293 179.705 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.435 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.0 mt -94.9 85.09 4.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.523 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.668 ' O ' ' HA ' ' B' ' 55' ' ' THR . 33.5 t-20 -95.32 107.36 19.48 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.273 -178.094 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.51 -165.82 14.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.531 179.382 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.498 ' HG2' ' CG ' ' B' ' 56' ' ' GLU . 3.2 mmmp? -78.39 -57.8 3.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.042 0.449 . . . . 0.0 110.755 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.459 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 3.0 p -106.43 5.89 29.82 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.236 -179.556 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.52 HD11 ' CA ' ' B' ' 18' ' ' THR . 20.0 tp -136.98 136.27 38.38 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.085 0.469 . . . . 0.0 111.185 -179.502 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' NZ ' ' ND2' ' A' ' 8' ' ' ASN . 27.3 mtpp -145.21 145.62 31.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.015 179.803 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.502 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -179.36 -168.71 38.75 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 119.966 -1.111 . . . . 0.0 113.319 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -145.23 137.6 25.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.996 0.427 . . . . 0.0 110.543 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.5 ' HA ' ' HA3' ' B' ' 14' ' ' GLY . 0.1 OUTLIER -134.08 168.37 18.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.895 -179.739 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 66.3 p -143.47 117.28 9.32 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -179.06 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.524 ' CA ' HD11 ' B' ' 12' ' ' LEU . 11.7 t -104.63 141.29 36.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.815 178.287 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -99.31 112.84 24.93 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.322 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.66 150.06 33.65 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.17 0.509 . . . . 0.0 112.116 -178.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.78 -29.79 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.079 -178.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.433 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 6.5 p-10 -154.82 172.03 18.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.921 0.391 . . . . 0.0 111.486 179.687 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.43 -41.37 80.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.284 -179.602 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.79 -54.56 33.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.435 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.433 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 35.8 p -53.49 -44.28 68.88 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.208 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.84 -51.64 68.86 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.379 178.014 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 88.7 tt0 -54.85 -45.98 74.59 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.596 179.406 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -63.74 -47.2 82.0 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.209 179.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.46 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 96.2 t -53.9 -42.38 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.864 179.204 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.511 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 40.2 t -62.05 -44.7 99.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.435 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 29.1 mmtp -46.8 -52.1 14.94 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.915 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.57 -38.07 80.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.685 179.266 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.511 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 52.5 t80 -53.86 -63.02 1.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.218 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -68.16 -39.12 82.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.669 179.233 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.414 ' ND2' HG22 ' B' ' 39' ' ' VAL . 34.1 t-20 -51.08 -39.16 55.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.343 0.592 . . . . 0.0 110.19 178.565 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.49 -22.84 17.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.464 -179.799 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.479 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.2 m-20 -80.35 -45.99 16.85 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.857 179.273 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.29 -116.4 0.0 OUTLIER Glycine 0 C--N 1.333 0.376 0 CA-C-N 114.824 -1.08 . . . . 0.0 115.464 179.772 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.429 ' CG1' ' O ' ' A' ' 39' ' ' VAL . 21.9 t -110.19 4.51 8.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -176.138 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.42 13.63 8.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.631 -0.668 . . . . 0.0 112.092 -179.813 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.47 170.96 53.87 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.404 -0.903 . . . . 0.0 113.022 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 0.5 OUTLIER -97.32 105.68 17.88 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.207 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.5 ' CH2' ' HD3' ' B' ' 31' ' ' LYS . 7.5 m0 -103.64 123.92 47.87 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -178.183 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.7 p -112.0 138.39 48.71 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.498 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 9.2 t80 -111.7 145.27 39.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.932 0.396 . . . . 0.0 111.757 -178.754 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -123.45 82.82 2.05 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.78 179.507 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.428 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 14.4 m-20 -45.32 -34.68 3.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.898 -179.593 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.5 -34.56 17.41 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -178.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -128.21 16.64 6.65 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.5 mttp 47.9 36.88 6.58 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.002 0.43 . . . . 0.0 110.582 -179.563 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.435 ' CG2' HG13 ' B' ' 6' ' ' ILE . 93.4 m -122.87 139.0 54.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.251 -179.213 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.5 m-85 -107.17 145.16 32.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.926 179.604 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -117.26 121.48 41.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.162 0.506 . . . . 0.0 111.029 178.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.9 t -102.63 107.46 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.407 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.668 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 16.9 m -97.76 114.05 25.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.029 179.671 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.497 ' CG ' ' HG2' ' B' ' 10' ' ' LYS . 2.1 pp20? . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.173 -0.918 . . . . 0.0 111.419 -178.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 121.018 0.437 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -112.94 155.02 25.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.253 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -134.09 149.13 51.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 111.008 -179.77 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.464 ' NZ ' ' HB2' ' B' ' 4' ' ' LYS . 4.8 ttmp? -107.73 110.85 22.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.503 179.794 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.416 ' HB ' HG21 ' B' ' 16' ' ' THR . 61.8 t -94.47 134.9 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.347 0.594 . . . . 0.0 111.329 -179.511 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.435 HG13 ' CG2' ' A' ' 51' ' ' THR . 74.2 mt -104.43 116.53 48.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.301 179.698 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.0 mt -94.88 84.98 4.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.514 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.668 ' O ' ' HA ' ' A' ' 55' ' ' THR . 33.6 t-20 -95.24 107.31 19.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.32 -178.171 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.6 -165.78 14.14 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.419 179.425 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.497 ' HG2' ' CG ' ' A' ' 56' ' ' GLU . 3.2 mmmp? -78.3 -57.97 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.066 0.46 . . . . 0.0 110.689 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.46 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 3.0 p -106.36 5.9 29.98 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.245 -179.524 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.524 HD11 ' CA ' ' A' ' 18' ' ' THR . 19.9 tp -136.95 136.32 38.46 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.111 0.481 . . . . 0.0 111.169 -179.573 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.402 ' NZ ' ' ND2' ' B' ' 8' ' ' ASN . 27.4 mtpp -145.19 145.53 31.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.112 179.82 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.5 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -179.31 -168.61 38.57 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 119.96 -1.114 . . . . 0.0 113.308 -179.894 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -145.28 137.61 25.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.011 0.434 . . . . 0.0 110.53 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.502 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -134.03 168.48 18.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.888 -179.792 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 66.0 p -143.52 117.29 9.3 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -179.057 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.52 ' CA ' HD11 ' A' ' 12' ' ' LEU . 11.5 t -104.69 141.26 36.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.809 178.383 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -99.34 113.01 25.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.354 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.78 150.13 33.65 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 121.24 0.543 . . . . 0.0 112.19 -178.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.83 -29.82 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.11 -178.727 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.433 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 6.4 p-10 -154.72 172.03 18.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.972 0.415 . . . . 0.0 111.489 179.659 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.45 -41.35 80.35 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.365 -179.714 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.78 -54.61 32.44 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.42 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.433 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 36.2 p -53.29 -44.46 68.31 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.177 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.7 -51.74 68.51 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.418 177.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.496 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 88.7 tt0 -54.73 -46.2 74.21 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.536 179.39 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -63.57 -47.25 82.26 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.235 179.42 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.459 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 95.9 t -53.8 -42.54 52.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.895 179.138 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.507 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 40.3 t -62.02 -44.71 99.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.453 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.5 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 29.1 mmtp -46.76 -52.14 14.71 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 121.226 0.536 . . . . 0.0 109.588 178.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.56 -38.18 80.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.636 179.287 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.507 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 52.1 t80 -53.72 -63.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.269 179.374 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -68.16 -39.15 82.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.653 179.259 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.419 ' ND2' HG22 ' A' ' 39' ' ' VAL . 34.3 t-20 -50.97 -39.1 54.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.461 0.648 . . . . 0.0 110.328 178.481 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.66 -22.88 17.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.332 -179.704 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.481 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.4 m-20 -80.28 -46.14 16.7 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.329 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.34 -116.32 0.0 OUTLIER Glycine 0 CA--C 1.52 0.367 0 CA-C-N 114.805 -1.089 . . . . 0.0 115.403 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' B' ' 39' ' ' VAL . 21.9 t -110.12 4.39 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 -176.125 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.45 13.72 8.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 118.56 0.618 . . . . 0.0 112.16 -179.814 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.45 170.94 53.87 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.037 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 0.5 OUTLIER -97.35 105.68 17.87 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.239 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.501 ' CH2' ' HD3' ' A' ' 31' ' ' LYS . 7.6 m0 -103.68 123.96 47.96 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -178.218 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.8 p -112.11 138.39 48.84 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.026 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.496 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 9.2 t80 -111.78 145.33 39.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.952 0.406 . . . . 0.0 111.756 -178.735 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -123.64 82.91 2.07 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.684 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.433 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 14.5 m-20 -45.42 -34.57 3.18 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.833 -179.568 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.62 -34.51 18.3 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -178.716 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 67.9 p -128.18 16.67 6.67 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 15.5 mttp 47.93 36.85 6.62 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.013 0.435 . . . . 0.0 110.551 -179.587 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.434 ' CG2' HG13 ' A' ' 6' ' ' ILE . 93.3 m -122.86 139.05 54.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.265 -179.226 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.496 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.4 m-85 -107.22 145.1 33.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.976 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -117.2 121.52 41.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.17 0.51 . . . . 0.0 110.996 178.771 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.0 t -102.55 107.45 21.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.499 179.73 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.668 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 17.3 m -97.9 114.1 26.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.012 179.761 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.498 ' CG ' ' HG2' ' A' ' 10' ' ' LYS . 2.1 pp20? . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.234 -0.888 . . . . 0.0 111.483 -178.649 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.811 0.338 . . . . 0.0 111.332 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -107.61 144.35 34.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.504 179.718 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.432 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 17.2 m-85 -127.52 146.75 50.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.614 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -107.92 111.25 23.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.956 -179.668 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.526 ' HB ' HG22 ' A' ' 16' ' ' THR . 61.3 t -94.78 127.7 46.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.284 0.564 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.8 mt -101.71 122.2 53.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.427 ' CD1' ' CD1' ' B' ' 7' ' ' LEU . 8.8 mt -101.36 82.45 2.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.704 179.79 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.548 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.8 t-20 -93.65 109.83 21.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.881 -178.268 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.09 -168.21 13.99 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.951 179.329 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.468 ' NZ ' ' HB3' ' A' ' 10' ' ' LYS . 7.6 mtpm? -86.69 -56.94 3.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.05 0.452 . . . . 0.0 110.231 179.504 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.3 p -96.22 -5.65 39.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.638 179.414 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.484 HD13 ' OG1' ' B' ' 16' ' ' THR . 13.6 tp -134.88 135.75 41.87 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.047 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -144.85 144.34 31.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.543 179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.454 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.87 -168.8 39.35 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.138 -1.03 . . . . 0.0 113.274 -179.897 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -145.66 151.97 38.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.875 0.369 . . . . 0.0 110.698 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.526 HG22 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -150.53 168.98 22.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.009 -179.47 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.2 p -143.79 120.93 11.47 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -179.027 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.484 ' CA ' HD12 ' B' ' 12' ' ' LEU . 12.1 t -108.33 147.57 31.3 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.762 178.589 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -108.08 118.53 37.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.65 0.262 . . . . 0.0 110.389 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.465 ' HB1' ' HA ' ' A' ' 26' ' ' ALA . . . -149.24 152.12 35.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.19 0.519 . . . . 0.0 112.007 -179.34 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -50.9 -28.4 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.538 -179.229 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.457 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 5.7 p-10 -153.01 170.79 19.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.976 0.417 . . . . 0.0 111.511 179.561 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.432 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -57.29 -41.65 80.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.341 -179.672 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.14 -55.32 26.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.045 179.238 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.457 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 29.9 p -51.69 -45.06 63.35 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.396 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.465 ' HA ' ' HB1' ' A' ' 20' ' ' ALA . . . -60.83 -52.26 65.83 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.12 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.504 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 44.2 tt0 -52.81 -48.71 66.73 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.748 178.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -59.0 -40.72 85.75 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.732 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 62.7 t -60.77 -34.86 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.966 179.272 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.456 HG13 ' CZ3' ' B' ' 43' ' ' TRP . 10.6 t -67.29 -49.44 72.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.876 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.504 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 3.5 mptp? -47.27 -45.45 23.97 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.165 0.507 . . . . 0.0 109.925 178.354 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.508 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 8.2 tt0 -68.85 -39.79 79.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.717 179.329 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.505 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 65.3 t80 -51.3 -50.1 60.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.42 178.64 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.441 ' CE2' HG12 ' A' ' 30' ' ' VAL . 25.2 m-85 -77.19 -36.8 54.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.15 178.496 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.508 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 25.2 t-20 -50.52 -40.64 52.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.491 0.662 . . . . 0.0 109.755 178.16 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -94.52 -24.34 17.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.738 -1.119 . . . . 0.0 112.719 -179.356 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 90.7 m-20 -78.74 -46.61 18.54 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.442 178.718 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.57 -120.34 0.0 OUTLIER Glycine 0 C--N 1.335 0.508 0 CA-C-N 114.886 -1.052 . . . . 0.0 115.584 179.327 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.434 ' CG1' ' O ' ' A' ' 39' ' ' VAL . 43.0 t -111.41 4.57 8.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -176.592 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.41 12.27 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.812 -0.555 . . . . 0.0 111.971 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.44 174.25 54.3 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.571 -0.824 . . . . 0.0 113.078 -179.477 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -95.55 102.91 14.75 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.743 0.306 . . . . 0.0 110.515 179.591 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.462 ' CZ3' HG13 ' B' ' 30' ' ' VAL . 6.4 m0 -102.89 122.05 43.75 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.39 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.406 ' OG1' ' OG1' ' A' ' 53' ' ' THR . 51.7 p -105.19 133.79 49.38 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.563 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 15.7 t80 -111.03 144.9 39.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.024 0.44 . . . . 0.0 112.013 -178.491 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -123.79 81.72 1.94 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.241 178.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.12 -36.04 12.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 111.586 -179.329 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.24 -29.43 9.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.888 -179.485 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.5 p -128.27 11.4 6.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.597 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm 49.47 34.29 6.59 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.01 0.433 . . . . 0.0 110.752 -179.779 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.4 m -120.51 136.77 54.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.95 -179.371 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.505 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 3.3 m-85 -106.29 144.6 32.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.159 179.62 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.406 ' OG1' ' OG1' ' A' ' 44' ' ' THR . 2.9 p -121.25 128.54 52.49 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.213 0.53 . . . . 0.0 111.089 179.084 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.1 t -107.66 109.54 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.578 179.196 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.551 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 9.2 m -100.61 115.81 31.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.104 0.478 . . . . 0.0 111.718 -178.874 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.987 179.774 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.863 0.363 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -107.56 144.41 34.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.543 179.67 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.429 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 17.3 m-85 -127.47 146.8 50.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.664 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -107.93 111.3 23.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.0 -179.75 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.52 ' HB ' HG22 ' B' ' 16' ' ' THR . 61.3 t -94.72 127.69 46.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.205 0.526 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 67.8 mt -101.78 122.23 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.427 ' CD1' ' CD1' ' A' ' 7' ' ' LEU . 8.9 mt -101.38 82.29 2.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.722 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.551 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.6 t-20 -93.59 109.78 21.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.871 -178.201 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.03 -168.13 13.98 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.999 179.302 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.466 ' NZ ' ' HB3' ' B' ' 10' ' ' LYS . 7.7 mtpm? -86.75 -56.93 3.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.086 0.47 . . . . 0.0 110.214 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 16.5 p -96.24 -5.77 39.57 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.527 179.482 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.484 HD12 ' CA ' ' A' ' 18' ' ' THR . 13.4 tp -134.83 135.78 41.98 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 -179.771 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -144.85 144.34 31.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.517 179.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.456 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.87 -168.77 39.29 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.134 -1.032 . . . . 0.0 113.27 -179.908 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -145.72 151.91 38.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.751 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.52 HG22 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -150.52 169.01 22.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.998 -179.451 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 63.1 p -143.77 120.89 11.45 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -178.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.481 ' CA ' HD12 ' A' ' 12' ' ' LEU . 12.0 t -108.43 147.49 31.54 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.726 178.56 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -107.93 118.56 37.06 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.463 ' HB1' ' HA ' ' B' ' 26' ' ' ALA . . . -149.29 152.09 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.09 0.471 . . . . 0.0 112.07 -179.363 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.88 -28.51 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.437 -179.191 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.456 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 5.8 p-10 -152.97 170.94 19.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 0.0 111.552 179.594 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.429 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -57.38 -41.63 80.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.327 -179.679 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.09 -55.53 24.63 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.313 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.456 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 30.8 p -51.52 -45.16 62.82 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.442 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.463 ' HA ' ' HB1' ' B' ' 20' ' ' ALA . . . -60.8 -52.37 65.38 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.144 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.509 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 44.1 tt0 -52.79 -48.69 66.68 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.652 179.042 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -59.01 -40.73 85.84 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.899 179.714 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 62.4 t -60.74 -34.81 60.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.021 179.262 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.462 HG13 ' CZ3' ' A' ' 43' ' ' TRP . 10.7 t -67.4 -49.45 71.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.956 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.509 ' HD3' ' O ' ' B' ' 27' ' ' GLU . 3.5 mptp? -47.31 -45.49 24.38 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.302 0.572 . . . . 0.0 109.836 178.461 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.503 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 8.2 tt0 -68.88 -39.75 79.61 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.693 179.471 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.503 ' O ' ' ND2' ' B' ' 37' ' ' ASN . 64.9 t80 -51.28 -50.01 60.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.508 178.495 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.445 ' CB ' ' HA2' ' A' ' 38' ' ' GLY . 25.2 m-85 -77.32 -36.85 53.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.99 178.6 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.503 ' HB3' ' HA ' ' B' ' 32' ' ' GLN . 25.0 t-20 -50.56 -40.66 52.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.553 0.692 . . . . 0.0 109.699 178.29 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -94.53 -24.22 17.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.812 -179.425 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 90.7 m-20 -78.87 -46.45 18.52 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.408 178.667 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.62 -120.34 0.0 OUTLIER Glycine 0 C--N 1.334 0.472 0 N-CA-C 115.55 0.98 . . . . 0.0 115.55 179.311 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.437 ' CG1' ' O ' ' B' ' 39' ' ' VAL . 43.2 t -111.48 4.73 8.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -176.661 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.4 12.15 8.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.893 -0.504 . . . . 0.0 111.939 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.42 174.26 54.32 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.124 -179.504 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -95.6 102.66 14.48 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.736 0.303 . . . . 0.0 110.563 179.71 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.456 ' CZ3' HG13 ' A' ' 30' ' ' VAL . 6.4 m0 -102.74 122.12 43.83 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.36 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.404 ' OG1' ' OG1' ' B' ' 53' ' ' THR . 49.8 p -105.19 133.9 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 177.535 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 15.6 t80 -111.03 145.02 39.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.05 0.453 . . . . 0.0 112.017 -178.538 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -123.99 81.86 1.96 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.161 178.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.2 -36.05 12.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.567 -179.37 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.19 -29.42 9.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.864 -179.467 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 76.4 p -128.25 11.3 6.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.601 0.238 . . . . 0.0 111.577 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm 49.53 34.2 6.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.024 0.44 . . . . 0.0 110.761 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 97.4 m -120.5 136.8 54.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.025 -179.496 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.505 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 3.3 m-85 -106.27 144.56 32.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.17 179.683 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.404 ' OG1' ' OG1' ' B' ' 44' ' ' THR . 2.9 p -121.22 128.63 52.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.194 0.521 . . . . 0.0 111.083 179.112 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 47.4 t -107.74 109.6 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.563 179.226 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.548 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 9.4 m -100.59 115.86 31.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.949 0.404 . . . . 0.0 111.691 -178.792 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.92 179.878 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.809 0.338 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -101.99 135.86 42.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.673 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' A' ' 17' ' ' THR . 74.5 m-85 -129.87 145.45 51.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.588 179.904 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' B' ' 51' ' ' THR . 38.5 ttpt -112.57 110.93 21.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.952 0.406 . . . . 0.0 110.547 179.829 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 16' ' ' THR . 58.9 t -93.95 131.64 40.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.368 0.604 . . . . 0.0 111.091 -179.481 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.462 HG13 ' CG2' ' B' ' 51' ' ' THR . 82.9 mt -100.93 126.76 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.328 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.489 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.0 mt -105.85 85.79 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.324 -179.173 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.716 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.3 m120 -89.87 102.07 14.77 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.416 -178.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.15 149.99 17.99 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.233 179.165 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -44.81 -56.6 4.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.886 0.374 . . . . 0.0 111.833 -179.598 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.449 ' HB ' HG12 ' B' ' 29' ' ' VAL . 9.5 p -99.42 -4.88 30.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.984 -178.762 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 9' ' ' GLY . 13.6 tp -135.25 136.44 41.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.663 0.268 . . . . 0.0 110.985 -179.532 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -145.34 144.72 30.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.521 179.623 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.514 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.8 -168.75 39.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.073 -1.061 . . . . 0.0 113.55 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.418 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 54.4 mp0 -143.78 140.18 29.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.864 0.364 . . . . 0.0 110.382 179.708 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.514 ' HA ' ' HA3' ' B' ' 14' ' ' GLY . 0.0 OUTLIER -137.86 168.79 18.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.189 -179.611 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 72.3 p -143.75 119.55 10.54 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.505 ' CA ' HD11 ' B' ' 12' ' ' LEU . 8.9 t -108.15 144.2 35.88 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.581 178.757 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -103.77 115.24 30.11 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 179.607 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.55 149.94 33.55 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 121.232 0.539 . . . . 0.0 111.984 -179.264 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.5 t -51.06 -36.98 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.965 -178.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -146.18 171.86 14.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.941 0.401 . . . . 0.0 111.161 179.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.85 87.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.506 -179.447 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.07 -55.02 33.31 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.566 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.1 p -51.9 -46.02 64.43 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.361 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -53.79 54.34 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.479 ' OE2' ' CE3' ' B' ' 43' ' ' TRP . 15.7 tp10 -49.19 -48.61 45.09 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.593 178.621 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -64.17 -45.76 86.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.28 179.397 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.452 HG12 ' HB ' ' B' ' 11' ' ' THR . 84.6 t -59.87 -40.05 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.273 179.294 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.481 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 46.7 t -66.57 -49.3 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.523 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.498 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 10.0 mtpm? -49.62 -43.78 46.89 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.047 0.451 . . . . 0.0 110.003 178.666 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -60.41 -35.87 76.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.327 178.847 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' B' ' 7' ' ' LEU . 23.1 t80 -54.13 -63.71 1.06 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.142 179.207 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.479 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 23.8 m-85 -68.3 -39.78 81.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.546 179.486 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.423 ' ND2' ' CG2' ' B' ' 39' ' ' VAL . 28.9 t-20 -51.08 -38.09 49.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.523 0.678 . . . . 0.0 109.503 178.336 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -94.51 -26.03 16.6 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 114.752 -1.113 . . . . 0.0 112.606 -179.622 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.458 ' O ' ' C ' ' A' ' 38' ' ' GLY . 86.9 m-20 -77.33 -43.35 33.32 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.186 0.517 . . . . 0.0 109.818 179.148 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.85 -117.97 0.0 OUTLIER Glycine 0 C--N 1.332 0.324 0 CA-C-N 114.43 -1.259 . . . . 0.0 115.666 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.429 ' CG2' ' ND2' ' B' ' 35' ' ' ASN . 69.9 t -84.34 -55.53 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -176.005 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -88.21 25.89 1.52 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -177.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.73 159.26 53.76 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 119.895 -1.145 . . . . 0.0 112.01 179.404 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -90.43 98.74 11.95 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.814 0.307 . . . . 0.0 110.306 179.528 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.473 ' CE3' ' OE2' ' B' ' 27' ' ' GLU . 5.4 m0 -101.36 120.74 40.72 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.368 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.2 p -104.35 133.44 49.24 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.814 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.501 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 14.2 t80 -108.69 141.97 39.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.036 0.446 . . . . 0.0 111.868 -178.851 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -123.59 81.41 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.353 178.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.11 -34.37 5.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.545 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.03 -32.52 15.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.025 -179.402 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -128.1 13.02 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm 53.58 31.94 13.45 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.829 0.347 . . . . 0.0 110.422 -179.777 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 96.8 m -111.78 136.3 51.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.637 -178.896 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 4.8 m-85 -108.7 95.35 5.59 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.232 0.539 . . . . 0.0 111.693 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.5 p -75.42 127.27 32.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.891 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -117.86 121.74 68.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.462 178.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.725 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 19.4 m -117.25 128.77 55.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.89 0.376 . . . . 0.0 111.636 -179.108 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.864 -179.75 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.947 0.403 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -102.08 135.98 42.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.586 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.419 ' O ' ' HA ' ' B' ' 17' ' ' THR . 75.8 m-85 -129.98 145.75 51.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.542 179.882 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.497 ' O ' ' HA ' ' A' ' 51' ' ' THR . 38.5 ttpt -112.77 110.92 21.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.538 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.449 ' HB ' HG23 ' B' ' 16' ' ' THR . 57.8 t -93.91 131.67 40.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.274 0.559 . . . . 0.0 111.147 -179.528 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.46 HG13 ' CG2' ' A' ' 51' ' ' THR . 82.6 mt -100.91 126.68 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.326 179.633 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.489 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.2 mt -105.92 85.89 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.355 -179.274 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.725 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.4 m120 -89.74 102.03 14.72 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.386 -178.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.02 150.1 18.01 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.25 179.084 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -44.99 -56.55 4.52 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.452 ' HB ' HG12 ' A' ' 29' ' ' VAL . 9.7 p -99.31 -5.2 30.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.007 -178.748 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' B' ' 9' ' ' GLY . 13.6 tp -134.99 136.51 42.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.639 0.256 . . . . 0.0 111.03 -179.543 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -145.43 144.61 30.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.517 179.685 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.514 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.9 -169.0 39.64 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.069 -1.063 . . . . 0.0 113.599 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 54.5 mp0 -143.67 140.08 29.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.024 0.44 . . . . 0.0 110.277 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.514 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -137.64 168.84 18.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.22 -179.606 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' B' ' 3' ' ' TYR . 72.5 p -143.83 119.64 10.55 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -178.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.498 ' CA ' HD11 ' A' ' 12' ' ' LEU . 8.9 t -108.26 144.08 36.22 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.65 178.684 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -103.73 115.19 30.03 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.665 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -147.52 149.92 33.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.19 0.519 . . . . 0.0 112.041 -179.245 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.4 t -51.17 -36.78 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.993 -178.781 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -146.19 171.81 14.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.776 0.322 . . . . 0.0 111.287 179.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.99 87.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.518 -179.441 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.8 -55.3 31.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.501 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 74.8 p -51.67 -46.12 63.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.411 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.14 -53.64 55.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.885 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.473 ' OE2' ' CE3' ' A' ' 43' ' ' TRP . 15.7 tp10 -49.27 -48.48 45.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.55 178.627 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -64.32 -45.53 87.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.388 179.373 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.449 HG12 ' HB ' ' A' ' 11' ' ' THR . 84.3 t -60.1 -40.02 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.202 179.256 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.481 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 46.7 t -66.63 -49.34 75.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.553 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.492 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 10.0 mtpm? -49.61 -43.81 46.79 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 121.036 0.446 . . . . 0.0 109.954 178.697 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -60.27 -35.87 76.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.37 178.781 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 7' ' ' LEU . 23.4 t80 -54.22 -63.71 1.06 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.024 179.264 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.479 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 23.8 m-85 -68.35 -39.72 81.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.488 179.595 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.429 ' ND2' ' CG2' ' A' ' 39' ' ' VAL . 28.9 t-20 -51.05 -38.24 50.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.505 0.669 . . . . 0.0 109.416 178.335 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -94.47 -25.89 16.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.594 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' B' ' 38' ' ' GLY . 86.9 m-20 -77.53 -43.26 32.6 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.119 0.485 . . . . 0.0 109.701 179.263 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.93 -117.97 0.0 OUTLIER Glycine 0 C--N 1.331 0.272 0 CA-C-N 114.48 -1.236 . . . . 0.0 115.685 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.423 ' CG2' ' ND2' ' A' ' 35' ' ' ASN . 68.8 t -84.3 -55.21 7.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 -175.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -88.57 25.89 1.6 Allowed 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -177.186 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.57 159.28 53.68 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 119.889 -1.148 . . . . 0.0 112.078 179.286 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -90.6 98.69 11.92 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.825 0.313 . . . . 0.0 110.306 179.607 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.479 ' CE3' ' OE2' ' A' ' 27' ' ' GLU . 5.4 m0 -101.08 120.74 40.64 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -178.43 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 67.3 p -104.34 133.79 48.64 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.723 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 14.2 t80 -109.02 141.98 40.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.111 0.481 . . . . 0.0 111.834 -178.914 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -123.59 81.45 1.9 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.227 179.073 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.02 -34.49 5.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.551 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.1 -32.42 15.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.016 -179.23 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 72.4 p -128.0 12.88 6.74 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm 53.63 31.91 13.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.851 0.358 . . . . 0.0 110.484 -179.733 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 96.3 m -111.69 136.32 51.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.585 -178.895 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 4.9 m-85 -108.82 95.51 5.7 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.322 0.582 . . . . 0.0 111.63 179.679 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.6 p -75.41 126.97 32.09 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.965 179.703 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -117.72 121.94 68.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.383 178.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.716 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 19.5 m -117.28 128.76 55.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 0.0 111.582 -179.032 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.946 -179.754 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.43 ' HE3' ' CZ ' ' A' ' 3' ' ' TYR . 46.4 ttp . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.756 0.312 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -98.92 136.96 38.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.035 179.309 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.446 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 19.8 m-85 -127.25 143.45 51.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.947 0.403 . . . . 0.0 111.027 -179.626 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' B' ' 51' ' ' THR . 62.5 tttp -108.75 109.82 21.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.412 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.465 ' HB ' HG22 ' A' ' 16' ' ' THR . 61.7 t -94.84 137.56 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.06 0.457 . . . . 0.0 111.12 -179.701 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.443 HG13 ' CG2' ' B' ' 51' ' ' THR . 82.8 mt -109.1 125.8 66.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.246 179.483 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.452 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.2 mt -102.2 82.31 2.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.804 -179.675 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.669 ' O ' ' HA ' ' B' ' 55' ' ' THR . 30.2 t-20 -91.5 108.95 20.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.692 -178.457 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -116.82 -169.29 15.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.139 179.347 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -80.76 -53.27 6.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.921 0.391 . . . . 0.0 110.309 179.407 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.431 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 17.5 p -104.84 1.08 28.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.042 -179.791 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.502 HD12 ' CA ' ' B' ' 18' ' ' THR . 20.9 tp -137.98 137.4 37.88 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.043 0.449 . . . . 0.0 111.682 -179.07 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' HD2' ' C ' ' A' ' 12' ' ' LEU . 1.2 mptp? -142.56 144.75 33.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.935 179.284 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.408 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -173.28 -176.82 42.08 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 119.91 -1.138 . . . . 0.0 113.505 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -140.71 135.27 31.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.279 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.469 ' OG1' HD13 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -137.27 166.87 22.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.342 -179.182 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 54.8 p -143.77 119.55 10.53 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -179.12 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.505 ' CA ' HD12 ' B' ' 12' ' ' LEU . 15.4 t -108.14 146.19 33.05 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.961 178.939 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -106.23 117.01 32.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.678 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.41 150.58 33.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.171 0.51 . . . . 0.0 111.891 -179.737 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.2 t -50.84 -27.19 4.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.067 -178.83 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -153.9 175.46 13.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.0 111.319 179.592 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.446 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -60.26 -42.87 96.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.397 -179.595 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.82 -55.26 27.95 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.6 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.9 p -50.68 -45.6 58.27 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.247 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.97 -54.38 46.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.292 177.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.497 ' OE2' ' HD3' ' A' ' 31' ' ' LYS . 5.1 tm-20 -52.82 -46.39 67.71 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.367 179.004 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -62.25 -43.93 97.71 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.28 179.15 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.432 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 95.8 t -59.03 -39.03 77.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.136 179.137 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.521 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 38.9 t -64.13 -47.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.486 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.497 ' HD3' ' OE2' ' A' ' 27' ' ' GLU . 32.0 mmmt -47.46 -50.09 23.91 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.219 0.533 . . . . 0.0 109.843 178.85 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.32 -37.95 79.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.642 179.411 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.521 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 42.7 t80 -53.37 -64.23 0.89 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.102 179.108 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -67.46 -39.15 85.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.633 179.358 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -50.78 -38.78 50.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.475 0.655 . . . . 0.0 109.912 178.519 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -94.3 -23.28 17.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.931 -1.031 . . . . 0.0 112.501 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.468 ' O ' ' C ' ' A' ' 38' ' ' GLY . 86.7 m-20 -80.64 -46.41 15.68 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.953 179.324 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.99 -115.66 0.0 OUTLIER Glycine 0 C--N 1.333 0.362 0 N-CA-C 115.612 1.005 . . . . 0.0 115.612 179.831 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.0 t -105.85 0.05 10.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -176.072 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.79 15.0 8.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 119.064 0.847 . . . . 0.0 112.208 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.99 166.67 53.06 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.62 -0.8 . . . . 0.0 113.406 -179.387 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 45.1 mp0 -94.8 100.7 12.55 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.245 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.465 ' CH2' ' HD2' ' B' ' 31' ' ' LYS . 8.0 m0 -99.98 121.6 41.61 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -178.117 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.8 p -101.39 134.49 44.4 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.097 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.532 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 3.7 t80 -107.87 137.79 45.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.792 0.33 . . . . 0.0 111.44 -178.769 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -123.42 81.78 1.93 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.51 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.426 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 7.5 m-20 -46.82 -36.33 7.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.441 -179.652 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.41 -32.08 25.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.089 -179.29 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.1 p -123.04 11.59 9.55 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.313 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HA ' ' CE ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER 50.26 36.83 13.53 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.852 0.358 . . . . 0.0 110.728 179.862 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 99.5 m -123.66 143.49 50.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.8 -178.66 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.532 ' CE1' ' CD1' ' A' ' 45' ' ' TYR . 90.0 m-85 -111.46 94.91 5.2 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.274 0.559 . . . . 0.0 111.846 179.696 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -72.74 127.6 33.04 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.252 179.4 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.2 t -111.99 111.05 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.237 179.602 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.669 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 29.8 m -103.36 118.99 38.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.561 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.832 -179.66 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.429 ' HE3' ' CZ ' ' B' ' 3' ' ' TYR . 46.6 ttp . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.857 0.361 . . . . 0.0 110.953 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -98.86 136.95 38.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.983 179.357 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.45 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 19.9 m-85 -127.33 143.48 51.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.888 0.375 . . . . 0.0 111.083 -179.641 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 51' ' ' THR . 62.4 tttp -108.85 109.77 20.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.377 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.469 ' HB ' HG22 ' B' ' 16' ' ' THR . 61.4 t -94.74 137.56 22.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.067 0.46 . . . . 0.0 111.01 -179.669 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.436 HG13 ' CG2' ' A' ' 51' ' ' THR . 82.8 mt -109.01 125.97 66.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.249 179.348 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.2 mt -102.35 82.21 2.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.864 -179.762 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.669 ' O ' ' HA ' ' A' ' 55' ' ' THR . 30.4 t-20 -91.42 108.91 20.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.758 -178.466 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -116.85 -169.34 15.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.123 179.473 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -80.83 -53.16 6.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.971 0.415 . . . . 0.0 110.303 179.42 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.432 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 17.5 p -104.92 1.06 28.49 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.029 -179.775 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.505 HD12 ' CA ' ' A' ' 18' ' ' THR . 21.3 tp -137.93 137.53 38.09 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.054 0.454 . . . . 0.0 111.657 -179.07 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.434 ' HD2' ' C ' ' B' ' 12' ' ' LEU . 1.2 mptp? -142.62 144.74 32.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.902 179.318 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -173.25 -176.88 42.09 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 119.943 -1.123 . . . . 0.0 113.433 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -140.71 135.34 31.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 110.302 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.469 HG22 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -137.36 166.9 22.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.271 -179.204 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 56.3 p -143.75 119.43 10.46 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -179.117 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.502 ' CA ' HD12 ' A' ' 12' ' ' LEU . 15.3 t -107.98 146.39 32.54 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.984 178.912 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -106.48 116.95 32.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.657 0.265 . . . . 0.0 110.652 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.15 150.5 33.92 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.122 0.487 . . . . 0.0 111.906 -179.684 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.2 t -50.82 -27.18 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.012 -178.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -153.99 175.38 13.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.794 0.331 . . . . 0.0 111.298 179.646 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . 0.45 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.2 -42.9 96.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.429 -179.556 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.69 -55.34 27.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.435 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 51.6 p -50.54 -45.76 57.04 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.198 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.0 -54.44 46.08 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.208 178.017 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.502 ' OE2' ' HD3' ' B' ' 31' ' ' LYS . 5.1 tm-20 -52.83 -46.34 67.72 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.255 179.073 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -62.26 -44.2 97.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.204 179.272 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.431 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 97.0 t -58.78 -39.09 75.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.087 179.24 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.522 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 38.9 t -64.06 -47.59 89.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.455 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.502 ' HD3' ' OE2' ' B' ' 27' ' ' GLU . 31.9 mmmt -47.4 -50.08 23.33 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.199 0.523 . . . . 0.0 109.882 178.821 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.39 -38.0 79.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.699 179.404 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.522 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 42.7 t80 -53.37 -64.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.05 179.105 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -67.48 -39.14 85.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.593 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -50.93 -38.73 51.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.413 0.625 . . . . 0.0 109.912 178.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -94.33 -23.17 17.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.406 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' B' ' 38' ' ' GLY . 86.6 m-20 -80.77 -46.34 15.57 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.605 -0.438 . . . . 0.0 109.958 179.311 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.19 -115.53 0.0 OUTLIER Glycine 0 CA--C 1.52 0.38 0 CA-C-N 114.99 -1.004 . . . . 0.0 115.463 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 25.5 t -105.82 -0.13 10.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -176.09 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.72 15.21 8.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 119.113 0.87 . . . . 0.0 112.041 -179.767 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.94 166.67 53.11 Favored Glycine 0 CA--C 1.519 0.344 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.298 -179.462 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.459 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 45.2 mp0 -94.68 100.97 12.81 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.231 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.473 ' CH2' ' HD2' ' A' ' 31' ' ' LYS . 7.9 m0 -100.22 121.49 41.53 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -178.249 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 65.0 p -101.31 134.42 44.4 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.11 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.535 ' CD1' ' CE1' ' B' ' 52' ' ' PHE . 3.8 t80 -107.79 137.78 45.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.719 0.295 . . . . 0.0 111.511 -178.834 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -123.37 81.64 1.91 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.668 179.525 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.424 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 7.5 m-20 -46.74 -36.32 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.428 -179.507 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.4 -31.98 24.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.169 -179.298 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.7 p -123.1 11.55 9.51 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.245 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.425 ' CE ' ' HA ' ' B' ' 50' ' ' LYS . 0.0 OUTLIER 50.26 36.88 13.65 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.802 0.334 . . . . 0.0 110.707 179.843 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.465 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 99.7 m -123.71 143.6 50.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.83 -178.732 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.535 ' CE1' ' CD1' ' B' ' 45' ' ' TYR . 89.8 m-85 -111.51 94.96 5.23 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.12 0.486 . . . . 0.0 111.894 179.69 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -72.73 127.77 33.54 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.316 179.426 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 67.3 t -112.16 111.04 34.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.199 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.669 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 30.4 m -103.49 119.01 38.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 -179.432 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.148 -0.929 . . . . 0.0 110.762 -179.64 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.3 mtp . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.993 0.425 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -106.02 142.91 34.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.9 179.13 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -123.7 147.29 47.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.98 0.419 . . . . 0.0 111.204 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.48 ' HB2' ' NZ ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -96.55 108.62 21.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.558 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.517 ' HB ' HG22 ' A' ' 16' ' ' THR . 75.9 t -97.32 116.89 40.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.135 0.493 . . . . 0.0 110.22 179.491 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' B' ' 53' ' ' THR . 62.1 mt -101.86 126.1 55.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.507 -179.085 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.46 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 47.4 mt -107.35 91.93 3.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.24 179.799 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.717 ' O ' ' HA ' ' B' ' 55' ' ' THR . 81.2 m-20 -100.13 109.25 21.52 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.285 -179.087 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.38 -169.76 15.46 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.714 178.837 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -85.68 -53.37 5.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.239 0.543 . . . . 0.0 110.0 179.204 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.434 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 10.0 p -98.89 -5.55 30.61 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.78 179.793 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.488 HD12 ' CA ' ' B' ' 18' ' ' THR . 16.4 tp -135.45 135.76 40.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.194 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -145.03 144.39 30.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.171 179.875 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.517 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -179.68 -168.35 38.37 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 119.911 -1.138 . . . . 0.0 113.596 -179.856 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -145.82 142.38 28.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.956 0.407 . . . . 0.0 110.81 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.517 HG22 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -141.38 169.09 18.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.815 -179.652 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 67.9 p -143.42 121.97 12.48 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -178.589 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.496 ' CA ' HD12 ' B' ' 12' ' ' LEU . 11.6 t -108.97 146.13 34.35 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.588 178.451 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -107.33 116.28 31.66 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 179.666 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.05 149.29 34.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.145 0.498 . . . . 0.0 111.85 -179.556 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.5 t -50.97 -26.68 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.802 -179.012 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -155.89 178.41 10.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.866 0.365 . . . . 0.0 111.467 179.636 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.92 99.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.431 -179.62 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.51 -54.84 37.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.088 179.354 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.9 p -50.5 -45.34 56.38 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.283 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.44 -51.63 69.05 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.284 177.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.645 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 17.0 tp10 -50.09 -51.19 44.79 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.743 179.127 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -64.39 -49.25 72.33 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 179.475 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.432 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 63.7 t -54.97 -41.78 60.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.02 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.423 HG13 ' CH2' ' B' ' 43' ' ' TRP . 66.6 t -66.68 -49.51 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 177.685 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.645 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 4.3 mmmp? -46.77 -49.28 20.02 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.484 178.625 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.447 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 7.5 tp60 -61.39 -34.44 75.33 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.277 -179.126 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.462 ' CZ ' ' HB3' ' B' ' 7' ' ' LEU . 24.8 t80 -51.61 -72.21 0.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.11 179.206 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.462 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 31.3 m-85 -61.61 -37.47 84.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.407 ' ND2' ' CG2' ' B' ' 39' ' ' VAL . 28.4 t-20 -51.27 -38.67 54.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.434 0.635 . . . . 0.0 109.793 178.655 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.52 -24.12 17.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.525 -179.892 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' GLY . 85.0 m-20 -80.15 -43.18 22.06 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.014 0.435 . . . . 0.0 110.351 179.795 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.88 -114.6 0.0 OUTLIER Glycine 0 CA--C 1.521 0.411 0 CA-C-N 114.676 -1.147 . . . . 0.0 115.785 -179.847 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.417 ' O ' ' HE2' ' B' ' 31' ' ' LYS . 96.2 t -82.01 -55.38 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 -176.041 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -89.9 25.48 2.08 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -177.29 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.1 144.5 47.98 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.163 -1.018 . . . . 0.0 112.407 179.537 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -80.85 93.55 6.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.754 0.311 . . . . 0.0 110.328 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.464 ' CE3' ' OE2' ' B' ' 27' ' ' GLU . 6.1 m0 -106.52 133.9 50.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.959 -178.873 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.0 p -113.13 143.88 43.61 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 177.806 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 9.5 t80 -112.72 142.85 44.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.066 0.46 . . . . 0.0 111.906 -178.599 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -123.32 85.45 2.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.488 179.509 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 13.7 m-20 -46.73 -38.21 9.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.798 -179.374 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.86 -31.99 13.32 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.066 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.9 p -128.39 12.43 6.48 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.843 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 mttt 47.98 35.46 5.08 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.899 0.381 . . . . 0.0 110.655 -179.557 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.4 m -116.75 141.7 47.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.454 -179.325 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.494 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.0 m-85 -112.48 144.47 41.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.97 179.377 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.471 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 3.1 p -122.35 128.8 51.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.145 0.498 . . . . 0.0 111.579 179.486 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.0 t -108.07 112.39 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.164 179.388 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.718 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 45.5 m -103.75 118.35 36.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.67 -179.059 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' OE1' ' C ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.482 -179.87 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.4 mtp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.932 0.396 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -105.95 142.82 35.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.954 179.168 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -123.6 147.38 47.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.006 0.431 . . . . 0.0 111.182 -179.748 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.479 ' NZ ' ' HB2' ' B' ' 4' ' ' LYS . 0.1 OUTLIER -96.63 108.66 21.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.565 179.927 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.517 ' HB ' HG22 ' B' ' 16' ' ' THR . 73.7 t -97.31 116.91 40.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.089 0.471 . . . . 0.0 110.247 179.467 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.471 ' O ' ' HA ' ' A' ' 53' ' ' THR . 62.7 mt -101.88 126.12 55.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.506 -179.021 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 48.1 mt -107.46 92.08 3.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.117 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.718 ' O ' ' HA ' ' A' ' 55' ' ' THR . 81.2 m-20 -100.22 109.28 21.52 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.222 -179.069 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.46 -169.59 15.37 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.689 178.812 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' B' ' 10' ' ' LYS . 0.7 OUTLIER -85.77 -53.43 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.224 0.535 . . . . 0.0 109.901 179.303 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.432 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 10.1 p -98.97 -5.48 30.48 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.744 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.496 HD12 ' CA ' ' A' ' 18' ' ' THR . 16.2 tp -135.51 135.72 40.65 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.017 0.437 . . . . 0.0 111.159 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -144.95 144.54 31.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.112 179.793 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.515 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -179.69 -168.34 38.36 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 119.889 -1.148 . . . . 0.0 113.632 -179.856 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -145.86 142.29 28.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.936 0.398 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.517 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -141.41 169.02 18.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.883 -179.656 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 66.6 p -143.39 122.02 12.54 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.632 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.488 ' CA ' HD12 ' A' ' 12' ' ' LEU . 11.6 t -108.83 146.1 34.2 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.74 178.421 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -107.34 116.31 31.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 179.745 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.17 149.25 34.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.203 0.525 . . . . 0.0 111.789 -179.526 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.8 t -50.98 -26.71 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.753 -178.923 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -155.75 178.5 10.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.796 0.331 . . . . 0.0 111.533 179.559 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.07 99.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.346 -179.676 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.46 -54.93 36.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.936 179.532 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 52.2 p -50.47 -45.39 56.17 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.351 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.55 -51.58 69.27 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.211 178.108 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.649 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 17.0 tp10 -50.12 -51.22 44.85 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.699 179.131 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -64.31 -49.34 72.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.752 179.43 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.434 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 62.9 t -55.07 -41.66 60.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.05 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.425 HG13 ' CH2' ' A' ' 43' ' ' TRP . 66.6 t -66.66 -49.49 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 177.665 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.649 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 4.2 mmmp? -46.84 -49.31 20.31 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.463 178.672 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.452 ' HA ' ' NE2' ' B' ' 32' ' ' GLN . 7.7 tp60 -61.27 -34.53 75.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.294 -179.175 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.46 ' CG ' HD21 ' A' ' 12' ' ' LEU . 24.3 t80 -51.57 -72.32 0.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.141 179.202 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.462 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 31.1 m-85 -61.52 -37.38 83.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.986 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.403 ' ND2' ' CG2' ' A' ' 39' ' ' VAL . 28.2 t-20 -51.24 -38.86 54.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.506 0.67 . . . . 0.0 109.733 178.642 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.5 -24.07 17.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.749 -1.114 . . . . 0.0 112.496 -179.773 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' B' ' 38' ' ' GLY . 84.9 m-20 -80.13 -43.29 21.91 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.089 0.471 . . . . 0.0 110.29 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.85 -114.58 0.0 OUTLIER Glycine 0 CA--C 1.52 0.405 0 CA-C-N 114.752 -1.113 . . . . 0.0 115.824 -179.837 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.413 ' O ' ' HE2' ' A' ' 31' ' ' LYS . 96.2 t -82.06 -55.46 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 -175.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -89.78 25.32 2.09 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -177.315 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.99 144.5 48.15 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.091 -1.052 . . . . 0.0 112.473 179.531 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -80.78 93.59 6.25 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.742 0.306 . . . . 0.0 110.394 179.475 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.464 ' CE3' ' OE2' ' A' ' 27' ' ' GLU . 6.0 m0 -106.56 133.95 50.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.009 -178.951 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 44.7 p -113.09 143.82 43.69 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.83 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.492 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 9.4 t80 -112.69 142.87 44.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.07 0.462 . . . . 0.0 112.03 -178.673 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -123.22 85.45 2.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.473 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.418 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 13.6 m-20 -46.64 -38.34 9.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.804 -179.417 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.9 -31.98 13.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 112.044 -178.943 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 67.9 p -128.31 12.43 6.52 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.874 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 28.1 mttt 47.99 35.47 5.1 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.903 0.382 . . . . 0.0 110.625 -179.536 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 87.3 m -116.74 141.65 47.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.516 -179.347 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.492 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 2.0 m-85 -112.4 144.53 41.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.965 179.373 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.1 p -122.3 128.95 51.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.029 0.442 . . . . 0.0 111.554 179.449 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.4 t -108.22 112.37 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.074 179.445 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.717 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 46.3 m -103.69 118.48 36.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.695 -179.156 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.415 ' C ' ' OE1' ' B' ' 56' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.523 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.452 ' HG2' ' N ' ' A' ' 2' ' ' GLN . 28.0 ttt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.947 0.404 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.452 ' N ' ' HG2' ' A' ' 1' ' ' MET . 5.3 tm0? -95.86 128.94 43.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.99 179.465 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.43 ' CE1' ' HB3' ' A' ' 1' ' ' MET . 73.6 m-85 -125.42 142.05 51.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.818 0.342 . . . . 0.0 110.785 -179.736 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.468 ' HB2' ' NZ ' ' A' ' 4' ' ' LYS . 4.8 ttmp? -105.54 112.73 25.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.956 -179.744 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.524 ' HB ' HG21 ' A' ' 16' ' ' THR . 69.7 t -95.28 133.26 36.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.117 0.484 . . . . 0.0 110.473 179.56 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.449 ' CG2' ' ND2' ' A' ' 8' ' ' ASN . 70.0 mt -107.98 124.48 64.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.158 -179.299 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.466 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 15.9 mt -105.67 84.8 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.122 0.487 . . . . 0.0 110.218 -179.814 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.756 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.5 m120 -93.81 108.82 20.54 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.359 -179.158 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.55 -167.47 14.7 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.043 178.905 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.585 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.1 mmpt? -82.3 -54.97 4.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.081 0.467 . . . . 0.0 110.127 179.52 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.462 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 14.5 p -102.64 -0.97 31.04 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.304 -179.74 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.467 HD13 ' HB ' ' B' ' 18' ' ' THR . 24.6 tp -137.0 136.61 38.62 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.102 0.477 . . . . 0.0 111.478 -179.499 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -145.25 145.27 31.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.157 179.496 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.475 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.34 -176.69 43.82 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 119.896 -1.145 . . . . 0.0 113.499 -179.695 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -136.56 135.05 38.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.31 . . . . 0.0 110.283 179.52 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.524 HG21 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -135.34 167.0 21.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.053 -179.713 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.4 p -143.72 122.8 12.87 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.807 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.464 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.2 t -111.55 145.9 38.28 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.498 178.562 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -107.91 117.11 33.26 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 179.796 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.75 152.39 38.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.199 0.523 . . . . 0.0 111.835 -179.412 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.7 t -50.61 -25.29 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.946 -178.787 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -157.15 174.91 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 111.318 179.307 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.2 -41.87 93.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.521 -179.454 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.6 -54.11 41.08 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.35 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 58.6 p -50.13 -45.55 53.07 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.378 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.99 75.38 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.704 178.317 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' OE2' ' HG3' ' A' ' 31' ' ' LYS . 4.2 tm-20 -55.63 -45.18 77.63 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.627 179.746 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HD2' ' OE1' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -68.07 -47.7 67.59 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.446 179.129 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.464 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 88.9 t -55.35 -41.79 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.565 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.483 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 99.5 t -63.47 -45.42 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.07 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HG3' ' OE2' ' A' ' 27' ' ' GLU . 79.9 mttt -48.64 -47.24 40.51 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-O 121.129 0.49 . . . . 0.0 110.37 178.986 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.3 -36.36 75.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.862 179.28 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.483 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 36.2 t80 -51.75 -69.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.999 179.183 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.424 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 32.2 m-85 -64.19 -37.62 88.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.957 179.76 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.433 ' ND2' ' CG2' ' B' ' 39' ' ' VAL . 25.0 t-20 -51.41 -38.88 55.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.497 0.665 . . . . 0.0 110.092 178.828 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -94.64 -23.58 17.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.397 -179.85 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 38' ' ' GLY . 85.4 m-20 -79.43 -45.29 19.75 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.243 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.36 -117.21 0.0 OUTLIER Glycine 0 CA--C 1.519 0.327 0 CA-C-N 114.48 -1.236 . . . . 0.0 116.071 179.645 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.427 ' CG2' ' ND2' ' B' ' 35' ' ' ASN . 48.2 t -81.88 -55.55 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -175.88 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -90.98 27.13 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -177.12 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.73 150.84 52.17 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.05 -1.071 . . . . 0.0 112.2 179.331 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -81.22 94.49 6.7 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.343 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.452 ' CH2' ' HA ' ' B' ' 31' ' ' LYS . 8.4 m0 -101.22 122.36 43.5 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -178.367 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -106.9 138.95 42.1 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.641 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 12.4 t80 -111.73 140.93 45.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.011 0.434 . . . . 0.0 111.927 -178.665 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -123.5 81.93 1.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.196 178.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.98 -36.15 16.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.51 -179.526 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.26 -32.0 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.667 -179.632 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.1 p -122.04 11.95 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.575 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp 48.66 36.43 7.72 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.634 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.425 ' CG2' ' O ' ' B' ' 4' ' ' LYS . 99.1 m -129.48 140.67 51.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.016 0.436 . . . . 0.0 111.353 -179.017 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.499 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.1 m-85 -108.75 146.52 33.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.422 178.937 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -122.71 127.56 49.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.34 0.59 . . . . 0.0 112.227 179.781 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.5 t -107.38 115.73 49.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.232 -0.895 . . . . 0.0 108.975 178.356 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.751 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 4.9 m -111.79 123.17 49.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.09 0.471 . . . . 0.0 112.119 -178.457 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.046 179.731 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.452 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 28.0 ttt . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.935 0.398 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.452 ' N ' ' HG2' ' B' ' 1' ' ' MET . 5.3 tm0? -95.79 128.9 43.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.089 179.342 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.429 ' CE1' ' HB3' ' B' ' 1' ' ' MET . 72.9 m-85 -125.39 142.08 51.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.804 0.335 . . . . 0.0 110.735 -179.728 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.476 ' NZ ' ' HB2' ' B' ' 4' ' ' LYS . 4.8 ttmp? -105.59 112.78 25.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.055 -179.874 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.517 ' HB ' HG21 ' B' ' 16' ' ' THR . 69.1 t -95.28 133.22 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.513 179.613 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.455 ' CG2' ' ND2' ' B' ' 8' ' ' ASN . 69.1 mt -107.99 124.53 64.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.146 -179.281 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 15.9 mt -105.61 84.76 2.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.05 0.452 . . . . 0.0 110.3 -179.836 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.751 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.5 m120 -93.85 108.92 20.64 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.319 -179.036 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.56 -167.42 14.68 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.126 178.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.588 ' HE2' ' HA ' ' B' ' 10' ' ' LYS . 7.1 mmpt? -82.43 -55.01 4.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.086 0.469 . . . . 0.0 110.097 179.503 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.464 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 14.6 p -102.58 -1.02 31.14 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.305 -179.81 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.468 HD11 ' OG1' ' A' ' 16' ' ' THR . 24.6 tp -136.98 136.65 38.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.057 0.456 . . . . 0.0 111.531 -179.561 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -145.27 145.24 31.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.079 179.563 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.31 -176.71 43.81 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 119.979 -1.105 . . . . 0.0 113.558 -179.733 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -136.63 135.09 38.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.91 0.386 . . . . 0.0 110.212 179.53 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.517 HG21 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -135.39 166.99 21.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.033 -179.727 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 70.2 p -143.64 122.76 12.9 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -178.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.467 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.1 t -111.51 145.99 38.07 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.449 178.604 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -107.89 117.0 32.97 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 179.724 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.71 152.52 38.96 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.146 0.498 . . . . 0.0 111.912 -179.495 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 27.1 t -50.56 -25.37 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.923 -178.784 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -157.13 174.87 14.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.891 0.377 . . . . 0.0 111.326 179.388 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.18 -41.82 93.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.487 -179.51 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.74 -54.2 39.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.497 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' B' ' 29' ' ' VAL . 59.3 p -50.09 -45.58 52.71 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.413 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.35 -50.09 75.01 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.754 178.291 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.46 ' OE2' ' HG3' ' B' ' 31' ' ' LYS . 4.2 tm-20 -55.65 -45.09 77.71 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.747 179.704 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.437 ' HD2' ' OE1' ' B' ' 27' ' ' GLU . 0.3 OUTLIER -68.03 -47.82 67.37 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.363 179.044 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.462 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 88.9 t -55.4 -41.82 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.676 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.484 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 100.0 t -63.4 -45.4 98.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.064 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.46 ' HG3' ' OE2' ' B' ' 27' ' ' GLU . 79.9 mttt -48.57 -47.22 39.7 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 121.106 0.479 . . . . 0.0 110.362 178.955 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.31 -36.38 75.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.835 179.328 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.484 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 36.3 t80 -51.81 -69.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.972 179.275 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.422 ' CZ ' HD21 ' B' ' 7' ' ' LEU . 32.2 m-85 -64.2 -37.66 88.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.997 179.71 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.427 ' ND2' ' CG2' ' A' ' 39' ' ' VAL . 25.1 t-20 -51.29 -38.95 55.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.471 0.653 . . . . 0.0 110.124 178.764 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -94.67 -23.5 17.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.352 -179.776 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' B' ' 38' ' ' GLY . 85.5 m-20 -79.54 -45.12 19.87 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.229 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.53 -117.25 0.0 OUTLIER Glycine 0 CA--C 1.52 0.386 0 CA-C-N 114.419 -1.264 . . . . 0.0 116.014 179.719 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.433 ' CG2' ' ND2' ' A' ' 35' ' ' ASN . 48.4 t -81.86 -55.61 7.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 -175.736 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -90.91 27.19 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.208 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.78 150.92 52.23 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.068 -1.063 . . . . 0.0 112.16 179.386 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.492 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 0.4 OUTLIER -81.46 94.53 6.85 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.458 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.449 ' CH2' ' HA ' ' A' ' 31' ' ' LYS . 8.4 m0 -101.16 122.38 43.52 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.407 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 67.3 p -106.95 138.98 42.1 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.711 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.495 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 12.2 t80 -111.79 141.08 45.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.994 0.426 . . . . 0.0 111.944 -178.654 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -123.55 81.86 1.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.187 179.095 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.02 -36.15 17.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.428 -179.486 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.28 -31.96 23.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.655 -179.568 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 81.1 p -122.11 12.04 10.29 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.616 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp 48.54 36.39 7.41 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.927 0.394 . . . . 0.0 110.789 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 4' ' ' LYS . 99.0 m -129.43 140.67 51.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.45 -179.045 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.495 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 2.2 m-85 -108.76 146.49 33.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.347 179.058 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -122.67 127.56 49.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.355 0.598 . . . . 0.0 112.231 179.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.5 t -107.31 115.62 49.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.0 178.376 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.756 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 5.0 m -111.76 123.32 49.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.132 0.491 . . . . 0.0 112.088 -178.478 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.946 179.823 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.429 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 11.9 ttm . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.718 0.294 . . . . 0.0 110.61 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -97.11 135.67 38.75 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.409 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.429 ' CE1' ' HB3' ' A' ' 1' ' ' MET . 73.7 m-85 -127.26 145.57 50.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.814 0.34 . . . . 0.0 111.188 -179.426 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' B' ' 51' ' ' THR . 24.5 ttmm -109.41 107.95 18.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.26 179.639 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.439 ' HB ' HG21 ' A' ' 16' ' ' THR . 62.1 t -94.24 133.87 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.028 0.442 . . . . 0.0 110.897 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.452 HG13 ' CG2' ' B' ' 51' ' ' THR . 61.3 mt -106.16 129.16 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.055 179.743 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 mt -105.9 93.42 4.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.874 -178.632 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.619 ' O ' ' HA ' ' B' ' 55' ' ' THR . 6.4 m120 -98.71 105.54 17.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.49 -179.627 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.05 -170.01 19.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.464 179.841 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -68.89 -53.03 23.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.878 0.37 . . . . 0.0 111.457 -179.735 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.495 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 17.9 p -121.3 17.57 11.47 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -178.933 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.674 ' HB3' ' CD1' ' B' ' 33' ' ' PHE . 27.0 tp -141.04 140.27 34.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.006 0.432 . . . . 0.0 110.879 -179.163 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 6.9 mptt -145.11 147.71 32.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.315 179.708 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.465 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.33 -174.3 41.82 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 119.928 -1.129 . . . . 0.0 113.366 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -141.88 133.68 27.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.023 0.44 . . . . 0.0 110.32 179.636 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.473 ' OG1' HD12 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -133.92 168.05 19.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.134 -179.604 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 46.1 p -143.44 119.56 10.75 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.792 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.491 ' CA ' HD11 ' B' ' 12' ' ' LEU . 15.0 t -109.04 144.47 37.01 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.693 178.754 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -104.95 116.36 31.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.13 151.67 36.0 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.291 0.567 . . . . 0.0 111.979 -179.579 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.5 t -50.84 -26.1 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.991 -178.795 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -157.42 175.08 14.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.0 111.347 179.448 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.94 -42.55 94.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.424 -179.589 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.79 -54.47 38.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.006 179.49 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 48.9 p -51.42 -45.96 62.77 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.411 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.54 -52.43 65.58 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.469 ' HG3' ' HE3' ' A' ' 31' ' ' LYS . 37.3 tp10 -51.55 -47.67 63.35 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.503 178.901 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -64.16 -46.1 85.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.469 179.46 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.493 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 74.1 t -58.4 -41.13 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.21 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.549 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 21.3 t -61.43 -44.58 98.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.625 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.469 ' HE3' ' HG3' ' A' ' 27' ' ' GLU . 22.7 mmtp -46.66 -50.24 18.01 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.247 0.546 . . . . 0.0 109.917 179.212 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.454 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -58.91 -35.72 73.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.683 179.047 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.678 ' CD1' ' HB3' ' B' ' 12' ' ' LEU . 54.3 t80 -55.07 -62.46 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.376 179.546 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -70.04 -39.01 76.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.682 179.31 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -50.43 -38.7 44.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.605 0.717 . . . . 0.0 109.927 178.597 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.39 -22.89 18.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.86 -1.064 . . . . 0.0 112.507 -179.744 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.501 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.4 m-20 -81.92 -46.83 13.52 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.145 179.424 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.51 -115.1 0.0 OUTLIER Glycine 0 C--N 1.333 0.395 0 N-CA-C 115.494 0.958 . . . . 0.0 115.494 179.723 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.419 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 22.0 t -110.37 5.24 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -176.361 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.99 12.5 8.38 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.697 -0.627 . . . . 0.0 112.04 -179.891 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.75 174.86 53.17 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.122 -179.593 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 46.6 mp0 -100.0 102.74 14.19 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.491 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.464 ' CH2' ' HD3' ' B' ' 31' ' ' LYS . 7.8 m0 -96.63 118.39 33.01 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.415 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.4 p -102.61 133.38 47.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.074 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.525 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 9.2 t80 -104.96 139.74 39.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.361 . . . . 0.0 111.706 -178.552 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -123.22 81.31 1.87 Allowed 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.649 179.525 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.64 -36.79 25.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.465 -179.605 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.13 -31.73 14.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.168 -179.268 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.9 p -128.23 12.7 6.6 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.627 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.479 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER 54.38 31.92 15.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.9 0.381 . . . . 0.0 110.335 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 51.7 m -111.45 154.04 25.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.223 -178.758 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.525 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 3.4 m-85 -129.2 95.03 3.94 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 121.225 0.535 . . . . 0.0 112.106 179.636 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.4 p -72.74 127.9 33.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.873 178.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.0 t -117.7 119.2 60.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.834 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.628 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 28.6 m -102.67 113.8 27.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.063 179.565 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.221 -178.658 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.43 ' HB3' ' CE1' ' B' ' 3' ' ' TYR . 12.0 ttm . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.777 0.322 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -97.0 135.64 38.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.431 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.43 ' CE1' ' HB3' ' B' ' 1' ' ' MET . 74.1 m-85 -127.25 145.44 50.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.799 0.333 . . . . 0.0 111.214 -179.381 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 51' ' ' THR . 24.5 ttmm -109.39 107.95 18.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.302 179.58 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.438 ' HB ' HG21 ' B' ' 16' ' ' THR . 61.6 t -94.22 133.87 33.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.092 0.472 . . . . 0.0 110.79 -179.64 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.454 HG13 ' CG2' ' A' ' 51' ' ' THR . 61.3 mt -106.23 129.24 59.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.089 179.628 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -106.0 93.5 4.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.884 -178.589 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.628 ' O ' ' HA ' ' A' ' 55' ' ' THR . 6.4 m120 -98.72 105.49 17.64 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.423 -179.53 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.99 -170.0 19.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.424 179.786 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -68.93 -52.98 23.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.822 0.344 . . . . 0.0 111.415 -179.653 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.493 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 18.0 p -121.34 17.61 11.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.077 -178.9 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.678 ' HB3' ' CD1' ' A' ' 33' ' ' PHE . 27.0 tp -141.13 140.23 34.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.953 0.406 . . . . 0.0 110.869 -179.171 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' B' ' 13' ' ' LYS . 6.9 mptt -145.11 147.57 32.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.283 179.788 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.24 -174.29 41.73 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.044 -1.074 . . . . 0.0 113.447 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -141.7 133.74 27.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.912 0.387 . . . . 0.0 110.371 179.672 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.47 ' OG1' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -134.05 168.03 19.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.095 -179.564 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' B' ' 3' ' ' TYR . 46.2 p -143.53 119.59 10.72 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.849 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.482 ' CA ' HD11 ' A' ' 12' ' ' LEU . 15.0 t -108.84 144.52 36.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.761 178.595 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -104.91 116.27 31.69 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 179.829 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.11 151.62 35.92 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.279 0.562 . . . . 0.0 111.976 -179.537 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 t -50.77 -26.18 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.07 -178.835 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -157.35 175.05 14.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 111.321 179.485 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.53 94.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.421 -179.587 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.7 -54.64 36.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.981 179.467 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.4 ' O ' ' CG2' ' B' ' 29' ' ' VAL . 51.5 p -51.25 -46.06 62.23 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.378 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.49 -52.49 65.37 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.033 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.47 ' HG3' ' HE3' ' B' ' 31' ' ' LYS . 37.1 tp10 -51.49 -47.77 63.12 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.422 178.871 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -64.12 -46.12 85.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.522 179.555 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.495 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 72.6 t -58.3 -41.24 80.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.251 179.432 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.552 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 21.4 t -61.45 -44.47 98.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.657 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.47 ' HE3' ' HG3' ' B' ' 27' ' ' GLU . 22.8 mmtp -46.71 -50.19 18.31 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 121.262 0.553 . . . . 0.0 109.945 179.177 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.452 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -58.96 -35.63 73.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.708 178.996 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.674 ' CD1' ' HB3' ' A' ' 12' ' ' LEU . 54.5 t80 -55.05 -62.53 1.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.346 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -70.11 -38.91 75.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.693 179.382 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -50.37 -38.82 44.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.481 0.658 . . . . 0.0 109.947 178.509 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.31 -22.74 18.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.544 -179.76 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.504 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.5 m-20 -82.04 -46.87 13.33 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.045 179.451 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.5 -115.03 0.0 OUTLIER Glycine 0 C--N 1.334 0.417 0 N-CA-C 115.476 0.95 . . . . 0.0 115.476 179.798 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.42 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 22.2 t -110.49 5.18 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -176.154 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.04 12.51 8.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 118.495 0.589 . . . . 0.0 112.032 -179.803 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.82 174.96 53.15 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.073 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.453 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 46.2 mp0 -100.17 102.68 14.05 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.484 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.465 ' CH2' ' HD3' ' A' ' 31' ' ' LYS . 7.7 m0 -96.39 118.34 32.71 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.409 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 45.4 p -102.57 133.41 47.6 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.033 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.521 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 9.3 t80 -104.96 139.6 39.42 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.628 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.14 81.36 1.87 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.935 0.398 . . . . 0.0 110.656 179.543 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.74 -36.6 26.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.544 -179.618 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.16 -31.79 14.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.131 -179.305 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -128.25 12.67 6.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.472 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.479 ' HA ' ' HE3' ' B' ' 50' ' ' LYS . 0.0 OUTLIER 54.41 31.79 15.28 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.831 0.348 . . . . 0.0 110.333 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 51.5 m -111.39 154.1 25.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.215 -178.696 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.521 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 3.4 m-85 -129.26 94.98 3.92 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.252 0.548 . . . . 0.0 112.116 179.636 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.4 p -72.77 127.91 33.94 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.802 178.959 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -117.64 119.12 60.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.619 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 28.5 m -102.62 113.8 27.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.161 179.493 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.208 -178.644 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.744 0.306 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -104.06 129.34 51.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.991 -179.737 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -123.9 148.41 46.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.577 179.584 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.538 ' O ' ' HA ' ' B' ' 51' ' ' THR . 62.8 tttm -106.28 104.72 14.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.905 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.482 ' HB ' HG21 ' A' ' 16' ' ' THR . 93.2 t -94.69 129.35 45.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.642 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.457 HG13 ' CG2' ' B' ' 51' ' ' THR . 67.7 mt -110.33 131.66 60.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.575 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.491 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 17.1 mt -108.03 92.76 4.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.317 -179.49 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.652 ' O ' ' HA ' ' B' ' 55' ' ' THR . 5.9 m120 -96.44 107.12 19.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.055 -178.789 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -111.47 -175.08 20.03 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.294 179.232 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -78.65 -54.33 6.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.263 0.554 . . . . 0.0 109.723 179.204 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.414 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 3.0 p -103.01 1.03 32.98 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.223 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.47 HD13 ' CA ' ' B' ' 18' ' ' THR . 28.4 tp -136.74 139.73 42.09 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.058 0.456 . . . . 0.0 111.41 -179.54 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -145.19 141.9 29.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.411 179.892 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.449 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.54 -173.65 41.45 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.119 -1.039 . . . . 0.0 113.564 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 52.0 mp0 -139.69 150.83 45.34 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.527 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.482 HG21 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -151.25 166.8 29.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.182 -179.342 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.0 p -143.51 121.36 11.98 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -179.019 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.473 ' CA ' HD13 ' B' ' 12' ' ' LEU . 13.6 t -109.59 145.34 36.56 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.719 178.704 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -106.38 118.15 35.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.73 0.3 . . . . 0.0 110.675 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.409 ' HB2' ' HA ' ' A' ' 26' ' ' ALA . . . -149.4 151.8 34.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.116 0.484 . . . . 0.0 111.992 -179.633 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.2 t -50.98 -26.4 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.785 -179.074 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.454 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 5.8 p-10 -155.11 174.02 15.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.864 0.364 . . . . 0.0 111.475 179.468 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.43 -42.63 92.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.05 -179.704 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.29 -55.81 24.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.547 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.454 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 29.6 p -51.23 -44.37 61.66 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.26 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.409 ' HA ' ' HB2' ' A' ' 20' ' ' ALA . . . -60.79 -52.7 63.96 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.179 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -52.65 -47.26 67.22 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.58 179.116 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.58 -44.43 96.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.044 179.495 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.415 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 91.5 t -60.48 -39.05 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.172 179.194 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.532 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 47.0 t -67.15 -49.54 71.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 178.414 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -47.4 -46.21 25.91 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 121.254 0.549 . . . . 0.0 109.828 178.494 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -61.14 -35.41 77.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.436 179.63 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.532 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 46.7 t80 -55.35 -61.73 2.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.197 179.059 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -68.94 -40.89 78.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.659 179.47 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.404 ' ND2' HG23 ' B' ' 39' ' ' VAL . 27.6 t-20 -50.19 -37.29 34.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.623 0.725 . . . . 0.0 109.667 178.467 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -94.5 -23.82 17.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.641 -1.163 . . . . 0.0 112.452 -179.779 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.2 m-20 -81.44 -46.6 14.34 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.043 0.449 . . . . 0.0 110.006 179.379 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.2 -114.44 0.0 OUTLIER Glycine 0 CA--C 1.52 0.373 0 N-CA-C 115.962 1.145 . . . . 0.0 115.962 -179.905 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.401 ' CG2' ' ND2' ' B' ' 35' ' ' ASN . 90.4 t -82.88 -55.27 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -175.891 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -90.7 26.87 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -176.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.46 162.87 54.28 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 119.916 -1.135 . . . . 0.0 111.879 179.124 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -91.56 96.63 10.58 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 117.012 0.406 . . . . 0.0 110.348 179.791 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.46 ' CZ3' HG12 ' B' ' 30' ' ' VAL . 7.6 m95 -97.12 118.12 32.82 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.381 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.3 p -107.18 136.96 46.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.025 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.466 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 7.6 t80 -109.28 141.78 41.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 0.0 111.428 -179.217 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -123.23 83.44 2.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 53.7 m-20 -46.78 -37.04 8.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.424 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.97 -35.56 24.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.03 -179.262 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.4 p -128.05 12.63 6.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.673 -179.777 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' NZ ' ' CB ' ' A' ' 50' ' ' LYS . 3.0 mtmp? 47.93 39.18 10.47 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.183 0.516 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.536 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 97.7 m -113.35 148.01 36.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.999 -179.254 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.466 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 17.9 m-85 -117.0 96.22 5.35 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.51 0.671 . . . . 0.0 111.906 -179.828 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -77.36 121.42 23.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.214 179.27 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.4 t -109.5 109.2 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.374 179.53 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.646 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 34.0 m -101.06 118.69 37.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.597 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.265 -179.068 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.866 0.365 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -104.09 129.21 51.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.044 -179.67 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -123.8 148.39 46.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.644 179.637 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.536 ' O ' ' HA ' ' A' ' 51' ' ' THR . 62.9 tttm -106.28 104.7 14.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.895 -179.77 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.48 ' HB ' HG21 ' B' ' 16' ' ' THR . 92.3 t -94.74 129.35 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.986 0.422 . . . . 0.0 110.603 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.456 HG13 ' CG2' ' A' ' 51' ' ' THR . 67.1 mt -110.28 131.6 60.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.587 179.887 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.496 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 17.1 mt -108.0 92.68 4.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.319 -179.516 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.646 ' O ' ' HA ' ' A' ' 55' ' ' THR . 6.0 m120 -96.37 107.14 19.47 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -178.847 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.45 -175.07 20.04 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.174 179.316 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -78.69 -54.32 6.22 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.277 0.561 . . . . 0.0 109.73 179.15 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.415 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 2.9 p -103.12 1.06 32.75 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.13 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.473 HD13 ' CA ' ' A' ' 18' ' ' THR . 28.3 tp -136.71 139.66 42.09 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.062 0.458 . . . . 0.0 111.424 -179.534 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -145.14 142.09 29.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.381 179.837 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.452 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.69 -173.72 41.64 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.075 -1.059 . . . . 0.0 113.567 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 51.7 mp0 -139.62 150.9 45.53 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.53 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.48 HG21 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -151.32 166.74 30.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.168 -179.247 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 68.5 p -143.52 121.39 11.99 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.47 ' CA ' HD13 ' A' ' 12' ' ' LEU . 13.7 t -109.62 145.22 36.8 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.68 178.767 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -106.23 118.11 35.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.653 0.263 . . . . 0.0 110.766 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.407 ' HB2' ' HA ' ' B' ' 26' ' ' ALA . . . -149.47 151.87 34.68 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 121.146 0.498 . . . . 0.0 111.871 -179.642 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.0 t -50.9 -26.49 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.84 -179.109 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.456 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 5.8 p-10 -155.02 174.1 15.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.88 0.372 . . . . 0.0 111.512 179.455 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.58 -42.43 92.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.725 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.3 -55.88 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.953 179.412 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.456 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 29.9 p -51.21 -44.31 61.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.268 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.407 ' HA ' ' HB2' ' B' ' 20' ' ' ALA . . . -60.85 -52.47 64.9 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.29 178.111 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -52.91 -47.11 68.21 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.564 179.049 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.64 -44.38 96.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.045 179.427 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.414 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 92.7 t -60.62 -38.97 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.173 179.255 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.529 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 47.2 t -67.23 -49.45 72.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.389 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -47.4 -46.21 25.96 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.362 0.601 . . . . 0.0 109.873 178.496 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -61.11 -35.35 76.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.456 179.625 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.529 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 47.2 t80 -55.52 -61.72 2.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.134 179.124 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -69.02 -40.77 78.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.604 179.492 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.401 ' ND2' ' CG2' ' A' ' 39' ' ' VAL . 27.7 t-20 -50.24 -37.27 34.78 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.682 0.753 . . . . 0.0 109.659 178.459 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -94.5 -23.85 17.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.7 -1.136 . . . . 0.0 112.498 -179.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.449 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.1 m-20 -81.43 -46.4 14.64 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.034 0.445 . . . . 0.0 110.101 179.32 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.45 -114.43 0.0 OUTLIER Glycine 0 CA--C 1.52 0.362 0 N-CA-C 115.978 1.151 . . . . 0.0 115.978 -179.899 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.404 HG23 ' ND2' ' A' ' 35' ' ' ASN . 91.1 t -82.86 -55.19 7.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -175.938 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -90.58 26.85 1.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 -177.14 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.45 162.75 54.27 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 119.953 -1.118 . . . . 0.0 111.902 179.135 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -91.42 96.58 10.59 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 117.028 0.414 . . . . 0.0 110.378 179.756 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.46 ' CZ3' HG12 ' A' ' 30' ' ' VAL . 7.5 m95 -96.97 117.99 32.37 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.47 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.2 p -107.18 137.06 45.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.091 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.465 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 7.7 t80 -109.4 141.67 41.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.846 0.355 . . . . 0.0 111.37 -179.143 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -123.16 83.5 2.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.004 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 53.9 m-20 -46.82 -36.96 7.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.373 -179.901 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.13 -35.5 26.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.005 -179.264 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 74.2 p -127.96 12.56 6.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.668 -179.793 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.403 ' CB ' ' NZ ' ' B' ' 50' ' ' LYS . 2.9 mtmp? 47.91 39.15 10.36 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.192 0.52 . . . . 0.0 110.903 -179.894 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.538 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 97.6 m -113.25 147.95 36.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.08 -179.245 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.465 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 18.1 m-85 -116.9 96.22 5.37 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.369 0.604 . . . . 0.0 111.911 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -77.35 121.47 23.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.203 179.27 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 64.6 t -109.56 109.23 27.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.32 179.539 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.652 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 34.2 m -100.98 118.62 37.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.934 -179.644 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.358 -179.14 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.403 ' HG3' ' CE1' ' A' ' 3' ' ' TYR . 11.2 tpt . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.668 0.27 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -111.41 146.84 36.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.005 0.431 . . . . 0.0 111.171 -179.595 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.462 ' CE2' ' CE ' ' B' ' 50' ' ' LYS . 10.1 m-85 -132.5 151.64 51.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.289 179.542 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' B' ' 51' ' ' THR . 87.8 tttt -109.59 109.84 20.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 111.411 -179.559 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.48 ' HB ' HG23 ' A' ' 16' ' ' THR . 72.6 t -94.86 136.0 27.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.103 179.399 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.457 HG13 ' CG2' ' B' ' 51' ' ' THR . 78.1 mt -114.84 135.35 54.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.049 -179.197 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.465 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 13.9 mt -113.2 104.99 12.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.698 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.676 ' O ' ' HA ' ' B' ' 55' ' ' THR . 6.2 m120 -109.11 107.83 18.28 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.496 -179.574 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.52 -166.19 15.42 Favored Glycine 0 CA--C 1.51 -0.237 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.279 179.343 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -75.71 -55.37 5.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.915 0.388 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.463 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 15.3 p -110.17 8.8 23.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.648 -179.083 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.559 ' HB3' ' CD1' ' B' ' 33' ' ' PHE . 26.7 tp -140.12 138.32 35.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.029 0.442 . . . . 0.0 111.654 -179.402 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -145.77 148.1 32.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.105 179.051 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.462 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -176.2 -173.29 41.72 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 119.84 -1.172 . . . . 0.0 113.835 -179.938 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.438 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 51.3 mp0 -140.09 137.62 34.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.824 0.345 . . . . 0.0 110.293 179.827 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.48 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -138.88 168.88 18.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.429 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 48.8 p -143.4 120.11 11.16 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -178.76 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.492 ' CA ' HD13 ' B' ' 12' ' ' LEU . 15.1 t -108.14 142.72 37.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.591 178.549 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -104.87 115.85 31.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.534 0.207 . . . . 0.0 110.64 179.803 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.42 ' HB2' ' HA ' ' A' ' 26' ' ' ALA . . . -149.04 154.91 39.98 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 121.255 0.55 . . . . 0.0 112.057 -179.632 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.0 t -50.53 -24.33 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.166 -178.581 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -158.16 170.62 21.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.83 0.347 . . . . 0.0 111.506 179.563 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.27 -40.95 87.69 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.517 179.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.69 -55.54 19.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.863 179.26 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.9 p -53.57 -42.1 67.2 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.294 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.42 ' HA ' ' HB2' ' A' ' 20' ' ' ALA . . . -62.13 -49.15 77.04 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.488 178.097 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' HG2' ' HE3' ' A' ' 31' ' ' LYS . 39.1 tt0 -57.57 -44.86 85.64 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 179.342 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -64.45 -43.57 93.84 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.344 179.493 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.465 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 96.5 t -60.35 -40.53 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.041 179.167 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.519 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 43.7 t -60.62 -43.35 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 178.514 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.54 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 28.2 mmtp -47.25 -51.63 18.31 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.271 0.558 . . . . 0.0 109.801 179.059 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.409 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 3.6 tp-100 -56.58 -36.8 69.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.033 179.629 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.554 ' CD1' ' HB3' ' B' ' 12' ' ' LEU . 43.8 t80 -52.68 -66.75 0.33 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.952 179.301 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.449 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 31.2 m-85 -66.87 -38.66 86.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.896 179.412 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.442 ' ND2' ' CG2' ' B' ' 39' ' ' VAL . 28.1 t-20 -52.78 -37.83 60.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.542 0.687 . . . . 0.0 109.654 178.297 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -94.21 -26.43 16.66 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.757 -1.111 . . . . 0.0 112.718 -179.552 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.471 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.0 m-20 -78.64 -41.8 30.46 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.149 0.499 . . . . 0.0 110.144 179.477 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.81 -115.46 0.0 OUTLIER Glycine 0 CA--C 1.521 0.418 0 CA-C-N 114.556 -1.202 . . . . 0.0 115.758 179.712 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.439 ' CG2' ' ND2' ' B' ' 35' ' ' ASN . 86.3 t -84.71 -55.42 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -175.855 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -89.66 26.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -176.515 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.51 161.75 52.4 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 119.658 -1.258 . . . . 0.0 111.705 178.886 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -88.06 95.92 10.32 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 117.186 0.493 . . . . 0.0 110.38 179.717 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.537 ' CH2' ' HD3' ' B' ' 31' ' ' LYS . 6.9 m0 -99.04 118.85 36.74 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.368 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.5 p -110.94 138.57 47.18 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 177.627 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 8.4 t80 -110.23 144.33 39.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.013 0.435 . . . . 0.0 111.61 -178.672 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.31 81.9 1.94 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.533 179.504 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 52.1 m-20 -45.3 -35.02 3.21 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.53 -179.774 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.01 -33.15 17.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.236 -179.14 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.5 p -126.92 14.51 7.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.414 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.463 ' CE ' ' CE2' ' B' ' 3' ' ' TYR . 4.3 mmmm 50.93 36.42 14.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.542 179.748 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.457 ' CG2' HG13 ' B' ' 6' ' ' ILE . 95.6 m -129.37 143.18 50.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.207 0.527 . . . . 0.0 111.997 -178.81 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.507 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.5 m-85 -109.81 149.62 29.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.202 179.453 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 4.3 p -121.93 127.57 50.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.987 0.422 . . . . 0.0 111.145 179.251 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.6 t -105.69 106.57 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.314 179.342 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.682 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 32.7 m -99.69 115.47 29.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.469 -179.307 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.601 -179.867 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.405 ' HG3' ' CE1' ' B' ' 3' ' ' TYR . 11.2 tpt . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.677 0.275 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -111.48 146.78 36.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.975 0.417 . . . . 0.0 111.255 -179.633 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.463 ' CE2' ' CE ' ' A' ' 50' ' ' LYS . 10.1 m-85 -132.3 151.67 51.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.29 179.629 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' A' ' 51' ' ' THR . 87.8 tttt -109.7 109.96 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 111.366 -179.701 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.488 ' HB ' HG23 ' B' ' 16' ' ' THR . 69.9 t -94.89 136.0 27.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.172 179.292 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.457 HG13 ' CG2' ' A' ' 51' ' ' THR . 78.2 mt -114.87 135.34 55.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.034 -179.167 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 13.9 mt -113.18 104.96 12.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.627 -179.379 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.682 ' O ' ' HA ' ' A' ' 55' ' ' THR . 6.1 m120 -109.03 107.82 18.3 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.555 -179.67 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.51 -166.14 15.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.296 179.389 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -75.6 -55.58 5.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.939 0.4 . . . . 0.0 110.749 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.465 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 15.6 p -110.07 8.88 24.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.711 -179.035 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.554 ' HB3' ' CD1' ' A' ' 33' ' ' PHE . 26.9 tp -140.2 138.34 35.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.115 0.483 . . . . 0.0 111.639 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -145.73 148.14 32.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.068 179.077 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -176.22 -173.31 41.77 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 119.81 -1.186 . . . . 0.0 113.775 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 51.4 mp0 -140.12 137.66 34.66 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.842 0.353 . . . . 0.0 110.317 179.755 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.488 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -138.8 169.03 18.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.45 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 49.5 p -143.45 120.12 11.14 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.705 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.485 ' CA ' HD13 ' A' ' 12' ' ' LEU . 15.1 t -108.28 142.82 38.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.477 178.528 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -104.94 115.96 31.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.485 0.183 . . . . 0.0 110.566 179.853 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.424 ' HB2' ' HA ' ' B' ' 26' ' ' ALA . . . -149.14 154.9 39.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.245 0.545 . . . . 0.0 112.041 -179.563 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 24.0 t -50.61 -24.37 2.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.162 -0.926 . . . . 0.0 112.153 -178.605 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -158.08 170.74 21.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.912 0.387 . . . . 0.0 111.437 179.609 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.34 -41.04 88.24 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.472 179.81 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.71 -55.5 19.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.907 179.277 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.9 p -53.55 -42.17 67.22 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.216 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.424 ' HA ' ' HB2' ' B' ' 20' ' ' ALA . . . -61.92 -49.3 76.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.503 178.065 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.445 ' HG2' ' HE3' ' B' ' 31' ' ' LYS . 39.1 tt0 -57.47 -44.99 85.3 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.61 179.43 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -64.39 -43.57 94.01 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.36 179.492 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.463 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 96.1 t -60.41 -40.48 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.944 179.144 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.516 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 43.9 t -60.69 -43.34 94.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 178.57 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.537 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 28.2 mmtp -47.25 -51.6 18.4 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.287 0.565 . . . . 0.0 109.849 179.008 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.407 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 3.6 tp-100 -56.59 -36.81 69.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.01 179.652 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.559 ' CD1' ' HB3' ' A' ' 12' ' ' LEU . 43.7 t80 -52.68 -66.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.004 179.287 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.448 ' CZ ' HD11 ' B' ' 7' ' ' LEU . 31.2 m-85 -66.82 -38.88 87.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.845 179.436 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.439 ' ND2' ' CG2' ' A' ' 39' ' ' VAL . 28.2 t-20 -52.7 -37.78 59.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.423 0.63 . . . . 0.0 109.649 178.306 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -94.25 -26.42 16.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.868 -1.06 . . . . 0.0 112.627 -179.511 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.468 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 85.9 m-20 -78.68 -41.9 29.95 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.049 0.452 . . . . 0.0 110.048 179.532 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.85 -115.52 0.0 OUTLIER Glycine 0 CA--C 1.521 0.452 0 CA-C-N 114.605 -1.18 . . . . 0.0 115.688 179.78 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.442 ' CG2' ' ND2' ' A' ' 35' ' ' ASN . 86.0 t -84.63 -55.4 6.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 115.78 1.77 . . . . 0.0 115.78 -175.832 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -89.56 26.21 1.78 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -176.605 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.65 161.68 52.59 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 119.715 -1.231 . . . . 0.0 111.582 179.049 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -88.05 96.03 10.36 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 117.063 0.431 . . . . 0.0 110.384 179.75 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.54 ' CH2' ' HD3' ' A' ' 31' ' ' LYS . 6.9 m0 -99.04 118.95 36.97 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -178.398 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 71.5 p -110.93 138.49 47.27 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 177.654 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.503 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 8.4 t80 -110.15 144.33 38.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.873 0.368 . . . . 0.0 111.694 -178.704 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -123.29 81.81 1.93 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.584 179.502 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.43 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 52.7 m-20 -45.41 -34.95 3.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.461 -179.641 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.0 -33.18 17.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.263 -179.182 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -126.85 14.43 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.384 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.462 ' CE ' ' CE2' ' A' ' 3' ' ' TYR . 4.3 mmmm 51.03 36.3 14.94 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.852 0.358 . . . . 0.0 110.597 179.754 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.457 ' CG2' HG13 ' A' ' 6' ' ' ILE . 95.5 m -129.29 143.11 50.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.103 0.478 . . . . 0.0 112.107 -178.77 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.503 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 2.4 m-85 -109.81 149.79 29.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.159 179.449 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 4.3 p -121.95 127.62 50.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.918 0.39 . . . . 0.0 111.158 179.272 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 81.7 t -105.71 106.44 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.262 179.442 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.676 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 32.5 m -99.63 115.46 29.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.46 -179.317 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.668 -179.925 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.3 mmm . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.905 0.383 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -106.44 143.1 35.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.025 179.175 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -121.78 146.13 47.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.973 0.416 . . . . 0.0 111.409 -179.648 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.457 ' CE ' HG23 ' A' ' 17' ' ' THR . 2.6 tpmt? -96.43 103.8 15.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.129 179.566 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.457 ' HB ' HG21 ' A' ' 16' ' ' THR . 60.1 t -95.15 113.84 30.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.155 0.503 . . . . 0.0 111.08 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.418 HG13 ' CG2' ' B' ' 51' ' ' THR . 74.7 mt -95.1 119.22 42.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.001 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.456 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.9 mt -99.24 84.96 3.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.778 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.641 ' O ' ' HA ' ' B' ' 55' ' ' THR . 32.6 t-20 -93.95 108.97 20.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.424 -178.001 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.491 ' HA2' ' HG2' ' B' ' 56' ' ' GLU . . . -117.52 -169.39 14.87 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.303 -0.951 . . . . 0.0 112.605 179.606 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -82.69 -58.05 3.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.156 0.503 . . . . 0.0 110.328 179.779 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.419 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 3.2 p -100.46 -0.49 37.9 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.662 179.653 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.476 HD13 ' CA ' ' B' ' 18' ' ' THR . 21.1 tp -136.39 136.26 39.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.032 -179.545 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -145.1 145.23 31.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.27 179.792 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.528 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 177.78 -165.26 34.77 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 119.962 -1.113 . . . . 0.0 113.552 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -149.59 142.17 24.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.986 0.422 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.528 ' HA ' ' HA3' ' B' ' 14' ' ' GLY . 0.0 OUTLIER -139.14 168.86 18.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.726 179.827 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.457 HG23 ' CE ' ' A' ' 4' ' ' LYS . 69.6 p -141.36 123.86 15.86 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.763 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.484 ' CA ' HD13 ' B' ' 12' ' ' LEU . 13.3 t -111.46 144.61 40.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.667 178.753 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -106.21 118.26 36.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.581 0.229 . . . . 0.0 110.385 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.46 ' HB3' ' HA ' ' A' ' 26' ' ' ALA . . . -149.1 151.9 35.23 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.303 0.573 . . . . 0.0 112.182 -179.379 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.78 -28.24 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.779 -179.075 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.451 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 5.1 p-10 -153.79 171.65 18.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 0.0 111.503 179.55 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.83 87.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 -179.663 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.47 -55.69 22.09 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.354 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.451 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 25.2 p -51.73 -44.54 63.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.185 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.46 ' HA ' ' HB3' ' A' ' 20' ' ' ALA . . . -60.61 -51.41 69.52 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 178.127 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -54.26 -45.43 72.4 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.152 178.933 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -64.88 -46.24 82.62 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.716 179.672 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.417 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 87.4 t -57.13 -39.86 69.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.998 179.298 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.483 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 27.1 t -61.61 -43.82 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.638 178.848 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.518 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 1.0 OUTLIER -49.19 -49.03 44.59 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.153 0.501 . . . . 0.0 110.012 179.497 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.51 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -57.22 -36.43 70.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.721 179.005 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.51 ' N ' ' NE2' ' A' ' 32' ' ' GLN . 41.7 t80 -55.0 -64.99 0.66 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.06 179.428 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.475 ' CE1' ' CE1' ' B' ' 34' ' ' PHE . 24.8 m-85 -66.65 -38.88 87.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.578 179.416 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -51.25 -38.17 51.15 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.508 0.67 . . . . 0.0 109.838 178.529 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.24 -22.39 18.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.122 -179.879 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.459 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.8 m-20 -83.65 -46.82 11.91 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.568 179.667 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -11.41 -112.04 0.0 OUTLIER Glycine 0 CA--C 1.521 0.429 0 N-CA-C 115.605 1.002 . . . . 0.0 115.605 -179.697 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.421 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 25.0 t -108.44 3.86 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -176.566 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.66 10.88 7.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.536 0.607 . . . . 0.0 111.931 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.48 172.32 53.53 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.568 -0.825 . . . . 0.0 113.345 -179.349 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -103.63 110.0 21.9 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.847 0.356 . . . . 0.0 110.374 179.71 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.519 ' CH2' ' HD2' ' B' ' 31' ' ' LYS . 5.9 m0 -105.53 123.75 48.42 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.425 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.8 p -108.73 138.75 44.54 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.437 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 21.2 t80 -110.48 144.32 39.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.071 0.462 . . . . 0.0 112.216 -178.561 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -123.27 81.82 1.93 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.364 179.39 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.95 -36.56 12.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.837 -179.301 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.53 -31.97 11.38 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -178.962 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.5 p -128.2 14.87 6.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.587 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm 48.16 34.85 4.69 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.958 0.408 . . . . 0.0 110.457 -179.469 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.419 ' CG2' HG13 ' B' ' 6' ' ' ILE . 92.7 m -117.78 140.25 49.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.579 -179.095 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.437 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.5 m-85 -108.42 140.97 40.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.173 179.412 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -117.83 122.84 44.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.103 0.478 . . . . 0.0 111.325 179.324 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.0 t -102.95 107.16 21.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.879 179.308 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.642 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 25.2 m -102.72 117.66 35.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.422 -179.15 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.493 ' HG2' ' HA2' ' B' ' 9' ' ' GLY . 21.9 pt-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 91.1 mmm . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.949 0.404 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -106.5 143.04 35.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.018 179.145 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -121.78 146.25 47.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.924 0.392 . . . . 0.0 111.455 -179.712 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.459 ' CE ' HG23 ' B' ' 17' ' ' THR . 2.6 tpmt? -96.36 103.72 15.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.196 179.619 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.449 ' HB ' HG21 ' B' ' 16' ' ' THR . 59.9 t -95.22 113.94 30.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.154 0.502 . . . . 0.0 111.062 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.419 HG13 ' CG2' ' A' ' 51' ' ' THR . 74.4 mt -95.19 119.15 42.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.944 179.92 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.463 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.0 mt -99.28 84.88 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.564 179.79 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.642 ' O ' ' HA ' ' A' ' 55' ' ' THR . 32.7 t-20 -94.0 109.03 20.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.369 -177.92 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.493 ' HA2' ' HG2' ' A' ' 56' ' ' GLU . . . -117.57 -169.32 14.83 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.266 -0.969 . . . . 0.0 112.569 179.623 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -82.85 -58.0 3.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.022 0.439 . . . . 0.0 110.256 179.921 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.417 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 3.2 p -100.42 -0.57 37.85 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.631 179.583 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.484 HD13 ' CA ' ' A' ' 18' ' ' THR . 21.0 tp -136.33 136.28 39.59 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.657 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -145.1 145.31 31.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.279 179.81 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.528 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 177.72 -165.25 34.78 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.841 -1.171 . . . . 0.0 113.477 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -149.65 142.2 24.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.995 0.426 . . . . 0.0 110.941 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.528 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -139.05 168.89 18.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.756 179.83 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.459 HG23 ' CE ' ' B' ' 4' ' ' LYS . 69.4 p -141.41 123.95 15.89 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -178.845 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.476 ' CA ' HD13 ' A' ' 12' ' ' LEU . 13.3 t -111.58 144.63 40.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.641 178.83 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -106.11 118.25 36.14 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.465 ' HB3' ' HA ' ' B' ' 26' ' ' ALA . . . -149.21 151.9 35.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.383 0.611 . . . . 0.0 112.141 -179.37 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -50.78 -28.33 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.746 -178.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.449 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 5.2 p-10 -153.71 171.6 18.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.881 0.372 . . . . 0.0 111.496 179.582 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.74 -41.89 87.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.157 -179.727 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.44 -55.61 22.86 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.296 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.449 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 25.5 p -51.75 -44.56 63.36 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.156 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.465 ' HA ' ' HB3' ' B' ' 20' ' ' ALA . . . -60.61 -51.37 69.71 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 178.096 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -54.33 -45.35 72.63 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.119 179.018 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.406 ' HA ' ' HG2' ' B' ' 31' ' ' LYS . 46.5 mmtm -64.86 -46.28 82.51 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.728 179.69 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.419 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 86.0 t -57.16 -39.8 69.3 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.044 179.286 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.489 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 27.5 t -61.6 -43.93 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.551 178.83 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.519 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -49.17 -48.93 44.62 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.096 0.474 . . . . 0.0 110.011 179.544 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.512 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -57.31 -36.46 71.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.709 178.993 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.512 ' N ' ' NE2' ' B' ' 32' ' ' GLN . 41.3 t80 -54.97 -64.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.094 179.459 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.475 ' CE1' ' CE1' ' A' ' 34' ' ' PHE . 24.8 m-85 -66.77 -38.8 87.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.521 179.398 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -51.42 -38.13 52.0 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.452 0.644 . . . . 0.0 109.796 178.608 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.06 -22.56 18.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.901 -1.045 . . . . 0.0 112.243 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.459 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.8 m-20 -83.65 -46.72 12.01 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.475 179.777 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -11.41 -112.08 0.0 OUTLIER Glycine 0 CA--C 1.522 0.472 0 N-CA-C 115.526 0.97 . . . . 0.0 115.526 -179.733 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 25.3 t -108.55 3.96 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -176.531 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.68 10.95 7.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.763 -0.586 . . . . 0.0 111.889 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.5 172.38 53.55 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.621 -0.799 . . . . 0.0 113.281 -179.354 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -103.71 109.86 21.73 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.796 0.331 . . . . 0.0 110.384 179.7 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.518 ' CH2' ' HD2' ' A' ' 31' ' ' LYS . 5.9 m0 -105.5 123.82 48.53 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.373 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 56.5 p -108.79 138.8 44.55 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.435 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 21.3 t80 -110.5 144.28 39.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.161 0.505 . . . . 0.0 112.146 -178.536 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -123.29 81.85 1.93 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.331 179.324 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.87 -36.69 12.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.818 -179.36 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.44 -31.92 10.8 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 67.4 p -128.32 14.87 6.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.523 179.915 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm 48.21 34.8 4.72 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.008 0.433 . . . . 0.0 110.451 -179.501 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.418 ' CG2' HG13 ' A' ' 6' ' ' ILE . 92.5 m -117.69 140.28 49.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.626 -179.073 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.435 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 2.5 m-85 -108.5 140.94 41.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.14 179.434 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -117.83 122.89 44.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.172 0.51 . . . . 0.0 111.209 179.373 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.0 t -102.92 107.15 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.903 179.224 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.641 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 25.6 m -102.84 117.8 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.267 -179.081 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.491 ' HG2' ' HA2' ' A' ' 9' ' ' GLY . 21.9 pt-20 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.793 -179.879 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.444 ' HE1' ' CZ ' ' A' ' 3' ' ' TYR . 36.3 ttp . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.811 0.339 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.424 ' NE2' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -108.0 144.53 35.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.671 -179.921 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.444 ' CZ ' ' HE1' ' A' ' 1' ' ' MET . 2.2 m-85 -129.58 148.03 51.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.804 -179.824 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.466 ' HB3' ' NZ ' ' A' ' 4' ' ' LYS . 7.2 ttpm? -103.77 108.89 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 179.795 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 16' ' ' THR . 61.5 t -94.77 130.59 43.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.094 0.474 . . . . 0.0 111.2 -179.711 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.422 HG13 ' CG2' ' B' ' 51' ' ' THR . 74.4 mt -105.53 121.53 57.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.643 179.714 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.415 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.3 mt -99.85 91.9 5.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.874 -179.906 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.629 ' O ' ' HA ' ' B' ' 55' ' ' THR . 32.5 t-20 -100.08 108.31 20.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.477 . . . . 0.0 112.263 -178.086 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.434 ' HA2' ' HG3' ' B' ' 56' ' ' GLU . . . -115.72 -169.56 15.71 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.514 179.63 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.448 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.4 mtmp? -75.05 -54.87 6.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.659 0.266 . . . . 0.0 111.179 -179.82 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.457 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 7.0 p -111.31 10.57 21.64 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.246 -179.235 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.533 ' HB3' ' CD1' ' B' ' 33' ' ' PHE . 28.9 tp -138.97 138.93 37.73 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.122 0.487 . . . . 0.0 111.419 -179.39 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.433 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -144.61 144.6 31.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.2 179.705 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -176.55 -172.83 41.61 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.14 -1.028 . . . . 0.0 113.176 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -143.21 137.14 28.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.908 0.385 . . . . 0.0 110.462 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.464 ' HA ' ' HA3' ' B' ' 14' ' ' GLY . 0.1 OUTLIER -134.84 167.34 21.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.101 -179.663 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.6 p -143.28 119.42 10.76 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.861 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.51 ' CA ' HD13 ' B' ' 12' ' ' LEU . 13.2 t -108.03 145.02 34.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.368 178.619 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -107.33 114.14 27.98 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.466 179.594 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -144.95 152.54 40.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.267 0.556 . . . . 0.0 112.02 -179.332 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.5 t -50.98 -25.79 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.971 -178.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -158.31 172.96 17.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.973 0.416 . . . . 0.0 111.487 179.719 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.86 86.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.115 -179.777 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.64 -53.86 44.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.216 179.517 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.8 p -55.35 -43.22 74.81 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.383 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.93 -51.98 66.98 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.033 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.63 -47.5 58.36 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.454 179.103 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -62.8 -45.84 90.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.953 179.237 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.454 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 94.4 t -53.22 -43.37 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.076 179.089 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.573 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 48.4 t -63.78 -46.43 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.706 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 53.0 mtpt -50.85 -47.36 60.35 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 120.762 0.315 . . . . 0.0 110.41 179.078 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -60.93 -38.1 84.62 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.887 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.573 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 56.2 t80 -53.59 -62.67 1.5 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.183 179.268 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -68.44 -38.8 81.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.599 179.337 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 32.5 t-20 -50.54 -38.75 46.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.457 0.646 . . . . 0.0 109.727 178.604 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -94.44 -23.11 17.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.808 -1.087 . . . . 0.0 112.317 -179.822 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.513 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.9 m-20 -82.09 -46.71 13.51 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.332 179.544 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -8.56 -114.24 0.0 OUTLIER Glycine 0 C--N 1.331 0.291 0 N-CA-C 115.567 0.987 . . . . 0.0 115.567 179.905 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 21.7 t -111.17 5.07 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -176.543 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -125.25 10.5 8.05 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.741 -0.599 . . . . 0.0 111.928 -179.83 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.45 173.42 54.83 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.876 -179.569 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 47.8 mp0 -95.9 101.67 13.38 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.711 0.291 . . . . 0.0 110.298 179.562 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.44 ' CZ3' HG12 ' B' ' 30' ' ' VAL . 9.6 m95 -96.12 115.88 28.12 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -178.367 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.2 p -109.58 138.21 46.27 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.077 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 7.0 t80 -112.98 142.85 45.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.724 0.297 . . . . 0.0 111.38 -178.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -123.3 84.11 2.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.709 179.684 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 12.5 m-20 -48.91 -35.71 15.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 0.0 111.35 -179.823 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.36 -35.46 28.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.084 -179.428 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.0 p -122.31 13.45 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.466 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.44 ' CE ' ' CE2' ' B' ' 3' ' ' TYR . 9.3 mmmm 49.9 34.22 7.58 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.816 0.341 . . . . 0.0 110.541 179.916 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 93.4 m -125.86 144.25 50.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.118 0.485 . . . . 0.0 112.025 -178.574 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.9 m-85 -109.51 139.45 44.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.211 179.31 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -116.46 123.08 46.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.177 0.513 . . . . 0.0 111.289 179.272 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.5 t -107.15 112.58 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.043 179.33 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.631 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 19.1 m -101.88 112.23 24.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.904 -179.456 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HG3' ' HA2' ' B' ' 9' ' ' GLY . 1.7 pp20? . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.816 -179.577 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.446 ' HE1' ' CZ ' ' B' ' 3' ' ' TYR . 36.5 ttp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.707 0.289 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.422 ' C ' ' NE2' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -107.94 144.62 34.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.679 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.446 ' CZ ' ' HE1' ' B' ' 1' ' ' MET . 2.2 m-85 -129.66 148.01 51.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.849 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.466 ' NZ ' ' HB3' ' B' ' 4' ' ' LYS . 7.1 ttpm? -103.66 108.77 20.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.645 179.841 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.411 ' O ' HG22 ' B' ' 16' ' ' THR . 60.9 t -94.83 130.63 43.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.092 0.472 . . . . 0.0 111.266 -179.738 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.42 HG13 ' CG2' ' A' ' 51' ' ' THR . 74.8 mt -105.48 121.47 57.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.654 179.757 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.3 mt -99.85 91.96 5.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.84 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.631 ' O ' ' HA ' ' A' ' 55' ' ' THR . 32.5 t-20 -100.03 108.25 20.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.297 -178.142 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.424 ' HA2' ' HG3' ' A' ' 56' ' ' GLU . . . -115.8 -169.59 15.68 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.302 -0.951 . . . . 0.0 112.434 179.692 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.451 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.4 mtmp? -74.94 -54.97 6.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.79 0.329 . . . . 0.0 111.205 -179.762 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.454 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 7.1 p -111.17 10.47 21.86 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.243 -179.226 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.536 ' HB3' ' CD1' ' A' ' 33' ' ' PHE . 29.2 tp -139.0 138.81 37.58 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.104 0.478 . . . . 0.0 111.436 -179.26 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' B' ' 13' ' ' LYS . 0.0 OUTLIER -144.56 144.65 31.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.213 179.694 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -176.56 -172.85 41.64 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.164 -1.017 . . . . 0.0 113.156 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -143.24 137.08 28.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.976 0.417 . . . . 0.0 110.496 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.468 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -134.81 167.48 20.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.067 -179.705 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 52.1 p -143.37 119.5 10.76 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -178.892 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.5 ' CA ' HD13 ' A' ' 12' ' ' LEU . 13.4 t -107.99 145.01 34.49 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.406 178.55 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -107.47 114.28 28.18 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 179.662 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.01 152.51 40.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.294 0.569 . . . . 0.0 112.011 -179.378 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.1 t -50.92 -25.89 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.936 -179.006 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -158.32 172.98 17.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.923 0.392 . . . . 0.0 111.415 179.761 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.49 -41.79 86.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.079 -179.721 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.83 -53.8 45.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.074 179.642 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 10.9 p -55.36 -43.26 74.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.388 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.9 -52.03 66.75 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.029 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -50.46 -47.67 56.83 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.407 179.054 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -62.82 -45.78 91.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.047 179.274 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.457 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 94.1 t -53.2 -43.42 49.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.075 179.01 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.573 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 48.1 t -63.77 -46.34 94.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.321 178.676 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 53.0 mtpt -50.82 -47.48 60.03 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.378 178.999 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -60.82 -38.19 84.58 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.91 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.573 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 55.7 t80 -53.43 -62.67 1.5 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.279 179.217 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -68.48 -38.77 81.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.656 179.272 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' B' ' 31' ' ' LYS . 32.6 t-20 -50.53 -38.77 46.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.51 0.672 . . . . 0.0 109.746 178.536 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -94.36 -23.12 17.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.856 -1.066 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.515 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.8 m-20 -82.0 -46.8 13.47 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.317 179.513 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -8.52 -114.25 0.0 OUTLIER Glycine 0 CA--C 1.52 0.395 0 N-CA-C 115.541 0.976 . . . . 0.0 115.541 179.935 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.418 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 21.7 t -111.24 5.05 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -176.384 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -125.19 10.47 8.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.734 -0.604 . . . . 0.0 111.921 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.42 173.45 54.85 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.0 -179.65 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 47.7 mp0 -95.93 101.72 13.43 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.759 0.314 . . . . 0.0 110.229 179.563 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.438 ' CZ3' HG12 ' A' ' 30' ' ' VAL . 9.7 m95 -96.05 115.86 28.07 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -178.455 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 73.6 p -109.58 138.26 46.21 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.08 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 6.9 t80 -113.08 142.92 45.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 111.331 -178.933 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -123.37 84.17 2.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.599 179.762 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.415 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 12.6 m-20 -49.05 -35.64 16.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.297 -179.846 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.33 -35.6 28.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.042 -179.451 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 76.3 p -122.24 13.43 10.37 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.43 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.444 ' CE ' ' CE2' ' A' ' 3' ' ' TYR . 9.3 mmmm 49.91 34.24 7.64 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.689 0.281 . . . . 0.0 110.493 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 93.3 m -125.81 144.29 50.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.198 0.523 . . . . 0.0 112.096 -178.666 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 2.9 m-85 -109.54 139.47 44.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.176 179.306 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -116.45 123.17 46.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.12 0.486 . . . . 0.0 111.189 179.283 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.08 112.49 40.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.141 179.217 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.629 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 19.0 m -101.79 112.24 24.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.99 -179.502 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.434 ' HG3' ' HA2' ' A' ' 9' ' ' GLY . 1.7 pp20? . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.772 -179.549 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.881 0.372 . . . . 0.0 111.341 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -104.14 142.01 35.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.001 179.159 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.54 ' CD2' ' HB3' ' B' ' 50' ' ' LYS . 49.0 m-85 -127.15 144.83 50.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.843 0.354 . . . . 0.0 111.255 -179.695 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.464 ' O ' ' HA ' ' B' ' 51' ' ' THR . 5.1 tppp? -99.08 108.61 21.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.44 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.445 ' O ' HG21 ' A' ' 16' ' ' THR . 47.5 t -94.61 126.95 46.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.051 0.453 . . . . 0.0 110.738 179.781 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.1 mt -104.44 119.41 53.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.93 -179.673 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.467 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.0 mt -98.69 88.04 3.95 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.483 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.691 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.4 t-20 -94.09 102.76 14.83 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -177.588 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.22 151.89 17.43 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.76 178.743 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -51.03 -52.53 42.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.789 0.328 . . . . 0.0 111.629 -179.532 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.443 ' HB ' HG12 ' B' ' 29' ' ' VAL . 19.7 p -99.18 -6.4 28.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.619 -179.103 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.513 HD12 ' CA ' ' B' ' 18' ' ' THR . 14.4 tp -134.04 135.78 43.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.921 -179.707 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -144.92 143.2 30.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.604 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.71 -168.71 38.35 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.258 -0.972 . . . . 0.0 113.217 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -147.07 142.11 27.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.768 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.504 ' HA ' ' HA3' ' B' ' 14' ' ' GLY . 0.1 OUTLIER -140.1 168.95 18.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.064 -179.72 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.415 ' CG2' ' CE ' ' A' ' 4' ' ' LYS . 73.2 p -143.68 121.09 11.66 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -179.041 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.517 ' CA ' HD12 ' B' ' 12' ' ' LEU . 11.7 t -106.07 144.7 32.41 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.451 178.303 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -103.92 112.33 25.26 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.428 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.35 149.4 37.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.198 0.523 . . . . 0.0 111.839 -179.307 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.7 t -50.94 -25.63 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.93 -179.068 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -156.09 178.14 10.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 111.402 179.683 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.07 99.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.588 -179.574 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.67 -54.08 44.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.452 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.2 p -50.49 -45.39 56.35 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.233 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.65 -52.5 65.26 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.547 178.266 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.511 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 41.2 tt0 -54.85 -46.7 74.71 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 179.467 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.462 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 4.0 mmmp? -60.89 -45.71 93.49 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.07 179.316 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.44 HG12 ' HB ' ' B' ' 11' ' ' THR . 90.3 t -57.97 -39.38 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.923 179.01 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.471 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 60.2 t -66.6 -49.31 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 177.969 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.564 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 33.4 mmtm -46.48 -52.27 13.56 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-O 121.221 0.534 . . . . 0.0 109.621 178.478 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -60.87 -37.89 83.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.032 179.531 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.471 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 39.8 t80 -53.09 -64.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.238 179.357 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -68.48 -39.53 81.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.866 179.482 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.417 ' ND2' ' CG2' ' B' ' 39' ' ' VAL . 27.5 t-20 -52.06 -37.88 55.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.517 0.675 . . . . 0.0 109.538 178.399 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -94.12 -26.4 16.73 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 114.785 -1.098 . . . . 0.0 112.573 -179.484 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.443 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.1 m-20 -77.48 -40.51 42.77 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.005 0.431 . . . . 0.0 109.953 179.393 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -8.07 -117.68 0.0 OUTLIER Glycine 0 CA--C 1.521 0.43 0 CA-C-N 114.578 -1.192 . . . . 0.0 115.936 -179.838 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.412 ' CG2' ' ND2' ' B' ' 35' ' ' ASN . 83.0 t -81.86 -55.62 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -175.937 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.36 26.06 1.77 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -177.032 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.19 144.67 48.1 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 119.985 -1.102 . . . . 0.0 112.46 179.405 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -79.34 94.72 5.54 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.499 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.556 ' CH2' ' HD3' ' B' ' 31' ' ' LYS . 6.4 m0 -107.56 132.65 53.03 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.639 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.419 ' OG1' ' OG1' ' A' ' 53' ' ' THR . 68.9 p -112.47 141.82 45.76 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.239 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.5 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 20.7 t80 -111.87 145.5 39.39 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -178.231 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -123.51 81.86 1.94 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.979 178.908 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.01 -36.9 8.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.962 -179.187 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.14 -33.94 20.59 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.189 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.6 p -128.6 13.4 6.46 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.705 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.539 ' HB3' ' CD2' ' B' ' 3' ' ' TYR . 14.0 mptt 52.48 28.65 6.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.812 0.339 . . . . 0.0 110.615 -179.14 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.467 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 88.5 m -106.56 134.66 49.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.12 0.486 . . . . 0.0 111.904 -178.826 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 1.9 m-85 -111.41 142.07 44.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.469 178.981 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.419 ' OG1' ' OG1' ' A' ' 44' ' ' THR . 3.2 p -119.54 121.39 39.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.044 0.449 . . . . 0.0 111.548 179.907 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.6 t -101.65 107.3 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.36 179.477 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.689 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 36.3 m -103.65 119.49 39.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.158 -179.481 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.471 ' HG2' ' HA2' ' B' ' 9' ' ' GLY . 16.8 pt-20 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.943 -179.601 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.999 0.428 . . . . 0.0 111.335 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -103.96 142.04 35.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.032 179.186 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.539 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 49.3 m-85 -127.2 144.81 50.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.927 0.394 . . . . 0.0 111.143 -179.663 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 51' ' ' THR . 5.1 tppp? -99.07 108.56 21.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.529 179.832 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.444 ' O ' HG21 ' B' ' 16' ' ' THR . 47.6 t -94.54 126.96 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.079 0.466 . . . . 0.0 110.691 179.829 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.424 HD11 HG22 ' B' ' 6' ' ' ILE . 68.4 mt -104.48 119.46 53.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.905 -179.716 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.0 mt -98.72 87.98 3.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.473 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.689 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.6 t-20 -94.01 102.81 14.9 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.612 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.29 151.86 17.42 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.122 -0.561 . . . . 0.0 111.732 178.755 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -50.9 -52.65 39.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 111.611 -179.484 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.44 ' HB ' HG12 ' A' ' 29' ' ' VAL . 19.5 p -99.16 -6.4 28.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.576 -179.021 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.517 HD12 ' CA ' ' A' ' 18' ' ' THR . 14.5 tp -134.02 135.78 43.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.865 -179.68 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -144.94 143.23 30.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.654 179.93 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.504 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.69 -168.66 38.27 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.279 -0.962 . . . . 0.0 113.216 -179.892 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -147.12 142.23 27.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.934 0.397 . . . . 0.0 110.724 179.853 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.506 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.1 OUTLIER -140.16 168.85 18.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.098 -179.678 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.418 ' CG2' ' CE ' ' B' ' 4' ' ' LYS . 73.3 p -143.59 120.99 11.65 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -179.058 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.513 ' CA ' HD12 ' A' ' 12' ' ' LEU . 11.7 t -106.04 144.63 32.48 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.491 178.227 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -103.82 112.35 25.27 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.392 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.3 149.41 37.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.154 0.502 . . . . 0.0 111.92 -179.219 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 t -51.0 -25.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.814 -179.007 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -156.04 178.21 10.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.857 0.36 . . . . 0.0 111.335 179.681 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.47 -43.11 99.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.583 -179.584 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.76 -53.96 46.3 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.582 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 47.7 p -50.58 -45.22 57.1 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.241 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.8 -52.36 65.77 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.641 178.168 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 41.3 tt0 -54.83 -46.8 74.64 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.543 179.356 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.454 ' NZ ' ' HB3' ' B' ' 28' ' ' LYS . 4.0 mmmp? -60.82 -45.87 92.76 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.069 179.36 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.443 HG12 ' HB ' ' A' ' 11' ' ' THR . 91.6 t -57.9 -39.38 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.912 179.021 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.466 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 59.8 t -66.63 -49.32 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.966 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.556 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 33.5 mmtm -46.29 -52.45 12.62 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.338 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -60.75 -37.97 83.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.035 179.566 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 7' ' ' LEU . 39.8 t80 -53.09 -64.1 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.207 179.361 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -68.45 -39.57 81.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.758 179.578 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.412 ' ND2' ' CG2' ' A' ' 39' ' ' VAL . 27.8 t-20 -51.92 -37.96 54.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.517 0.675 . . . . 0.0 109.516 178.441 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -94.14 -26.32 16.75 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 114.775 -1.102 . . . . 0.0 112.634 -179.433 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.443 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.9 m-20 -77.5 -40.49 42.72 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.014 179.287 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -8.14 -117.67 0.0 OUTLIER Glycine 0 C--N 1.332 0.352 0 CA-C-N 114.607 -1.179 . . . . 0.0 115.978 -179.901 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.417 ' CG2' ' ND2' ' A' ' 35' ' ' ASN . 83.3 t -81.83 -55.68 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -175.924 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.23 25.95 1.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -177.099 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.19 144.66 48.09 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.013 -1.089 . . . . 0.0 112.333 179.538 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -79.33 94.7 5.53 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.435 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.564 ' CH2' ' HD3' ' A' ' 31' ' ' LYS . 6.4 m0 -107.57 132.57 53.13 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -178.608 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.415 ' OG1' ' OG1' ' B' ' 53' ' ' THR . 69.0 p -112.28 141.82 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 177.234 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 20.6 t80 -111.87 145.49 39.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.234 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -123.55 81.93 1.95 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.006 178.805 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.02 -36.99 8.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.886 -179.206 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.11 -33.83 20.04 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.158 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.6 p -128.7 13.33 6.4 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.711 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.54 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 14.0 mptt 52.52 28.58 6.14 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.902 0.382 . . . . 0.0 110.651 -179.177 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.464 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 88.6 m -106.62 134.6 49.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.159 0.504 . . . . 0.0 111.964 -178.838 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 1.9 m-85 -111.3 142.03 44.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.412 179.097 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.415 ' OG1' ' OG1' ' B' ' 44' ' ' THR . 3.3 p -119.49 121.31 39.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.185 0.517 . . . . 0.0 111.646 179.772 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 69.3 t -101.53 107.24 21.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.382 179.468 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.691 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 34.8 m -103.48 119.37 38.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.258 -179.597 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.476 ' HG2' ' HA2' ' A' ' 9' ' ' GLY . 16.8 pt-20 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.955 -179.634 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.43 ' HG3' ' CE1' ' A' ' 3' ' ' TYR . 52.5 tpp . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 121.083 0.468 . . . . 0.0 111.495 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -98.4 129.79 45.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.408 178.867 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.43 ' CE1' ' HG3' ' A' ' 1' ' ' MET . 87.2 m-85 -116.83 146.37 42.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.0 0.429 . . . . 0.0 111.395 -179.515 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.583 ' O ' ' HA ' ' B' ' 51' ' ' THR . 55.0 tptt -108.71 100.53 9.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.0 179.843 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' THR . 96.0 t -94.02 132.68 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.94 0.4 . . . . 0.0 110.952 -179.478 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.43 ' CG2' ' OD1' ' A' ' 8' ' ' ASN . 59.9 mt -112.05 133.11 58.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.501 -179.838 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.456 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 16.2 mt -111.81 93.64 4.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.656 -179.319 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.633 ' O ' ' HA ' ' B' ' 55' ' ' THR . 6.2 m120 -98.2 109.69 22.4 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.597 -179.462 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.37 -166.05 14.34 Favored Glycine 0 C--N 1.329 0.19 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.622 179.617 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.3 mtmp? -80.98 -55.9 4.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.885 0.374 . . . . 0.0 110.4 179.719 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.412 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 3.6 p -105.34 3.53 29.92 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.984 -179.501 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.466 HD13 ' OG1' ' B' ' 16' ' ' THR . 23.5 tp -139.6 138.73 36.43 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.179 0.514 . . . . 0.0 111.809 -179.21 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 2.1 mptp? -143.89 145.4 32.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.639 179.113 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.25 -172.29 42.5 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 119.722 -1.227 . . . . 0.0 113.558 -179.826 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.496 ' HB3' ' HE3' ' A' ' 4' ' ' LYS . 52.9 mp0 -141.03 151.1 43.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.356 -0.422 . . . . 0.0 110.185 179.768 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.47 ' OG1' HD13 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -151.12 168.4 24.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.968 -179.583 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 71.8 p -143.43 120.64 11.51 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -178.731 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.459 ' CA ' HD12 ' B' ' 12' ' ' LEU . 12.9 t -112.1 147.19 36.59 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.525 178.511 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -110.07 120.9 43.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.506 0.193 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.11 153.61 38.01 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.202 0.525 . . . . 0.0 112.048 -179.808 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 t -51.15 -25.8 4.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.771 -179.07 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.437 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 6.8 p-10 -157.42 174.35 15.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.964 0.411 . . . . 0.0 111.492 179.71 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.91 -42.8 90.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.198 -179.697 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.64 -56.6 18.11 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.325 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.437 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 26.6 p -50.58 -44.37 56.82 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 178.344 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.15 -51.97 67.31 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -51.65 -50.19 60.83 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.075 179.301 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -45.8 85.95 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.427 179.471 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.411 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 91.9 t -56.33 -40.54 67.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.552 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.516 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 97.2 t -66.59 -49.7 72.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 177.737 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HA ' ' CH2' ' B' ' 43' ' ' TRP . 95.4 mttt -46.77 -48.26 20.63 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.422 0.63 . . . . 0.0 110.274 178.358 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -59.42 -34.84 72.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.55 -179.896 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.516 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 35.7 t80 -54.9 -62.21 1.81 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.076 179.055 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -68.75 -40.76 79.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.766 179.579 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.412 ' ND2' ' CG2' ' B' ' 39' ' ' VAL . 31.0 t-20 -49.35 -38.89 29.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.601 0.715 . . . . 0.0 109.703 178.249 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -94.62 -24.84 17.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.742 -1.117 . . . . 0.0 112.795 -179.566 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.1 m-20 -76.37 -41.93 46.36 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.211 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.15 -120.11 0.0 OUTLIER Glycine 0 CA--C 1.521 0.426 0 CA-C-N 114.524 -1.216 . . . . 0.0 115.888 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.411 ' CG2' ' ND2' ' B' ' 35' ' ' ASN . 89.6 t -84.83 -55.33 7.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 -175.708 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -86.96 26.92 1.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -176.959 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.96 159.45 53.89 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 119.899 -1.143 . . . . 0.0 112.095 179.336 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -88.04 96.56 10.56 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.88 0.34 . . . . 0.0 110.217 179.32 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.435 ' CH2' ' HA ' ' B' ' 31' ' ' LYS . 7.2 m0 -100.29 121.33 41.31 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.157 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.2 p -105.67 135.0 47.87 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 177.665 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 14.1 t80 -106.71 142.04 37.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.96 0.41 . . . . 0.0 112.055 -178.548 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -123.57 81.23 1.88 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.372 179.074 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.48 -36.06 6.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.619 -179.52 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.01 -34.09 20.13 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -179.229 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.3 p -128.36 12.72 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.505 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm 54.09 30.68 12.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 110.334 -179.557 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.581 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 95.3 m -105.11 149.39 25.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.731 -178.918 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.507 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 26.0 m-85 -125.36 95.32 4.43 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 121.36 0.6 . . . . 0.0 111.886 179.537 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -75.42 126.45 31.04 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.302 179.313 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.7 t -112.24 111.54 36.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.978 179.345 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.631 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 26.4 m -100.5 116.24 31.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.914 0.387 . . . . 0.0 111.783 -178.986 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.312 -0.851 . . . . 0.0 111.315 179.909 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.432 ' HG3' ' CE1' ' B' ' 3' ' ' TYR . 52.5 tpp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.976 0.417 . . . . 0.0 111.572 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -98.36 129.9 45.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.403 178.792 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.432 ' CE1' ' HG3' ' B' ' 1' ' ' MET . 86.9 m-85 -116.92 146.39 43.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 0.0 111.462 -179.587 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.581 ' O ' ' HA ' ' A' ' 51' ' ' THR . 55.0 tptt -108.66 100.46 9.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.084 179.891 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' B' ' 16' ' ' THR . 94.7 t -93.98 132.74 37.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.967 0.413 . . . . 0.0 110.981 -179.451 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.429 ' CG2' ' OD1' ' B' ' 8' ' ' ASN . 60.0 mt -112.14 133.02 59.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.57 -179.888 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 16.0 mt -111.64 93.49 4.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 -179.219 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.631 ' O ' ' HA ' ' A' ' 55' ' ' THR . 6.2 m120 -98.1 109.66 22.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.528 -179.426 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.47 -165.98 14.27 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.555 179.602 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.456 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.3 mtmp? -81.02 -55.87 4.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.922 0.392 . . . . 0.0 110.443 179.743 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.411 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 3.6 p -105.3 3.55 30.04 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.025 -179.596 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.47 HD13 ' OG1' ' A' ' 16' ' ' THR . 23.6 tp -139.62 138.81 36.45 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.25 0.548 . . . . 0.0 111.809 -179.287 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.411 ' N ' ' HD2' ' B' ' 13' ' ' LYS . 2.1 mptp? -143.89 145.45 32.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.583 179.107 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.26 -172.23 42.45 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 119.774 -1.203 . . . . 0.0 113.544 -179.894 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.498 ' HB3' ' HE3' ' B' ' 4' ' ' LYS . 52.9 mp0 -141.07 151.14 43.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.403 -0.399 . . . . 0.0 110.219 179.712 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.468 ' HA ' ' HA3' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -151.15 168.46 24.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.989 -179.579 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' B' ' 3' ' ' TYR . 72.5 p -143.46 120.56 11.44 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -178.693 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.456 ' CA ' HD12 ' A' ' 12' ' ' LEU . 13.0 t -112.0 147.24 36.37 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.632 178.529 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -110.16 120.89 43.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.591 0.234 . . . . 0.0 110.787 -179.949 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -149.1 153.5 37.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.195 0.521 . . . . 0.0 112.101 -179.808 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 25.2 t -51.01 -25.89 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.871 -179.177 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.437 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 6.8 p-10 -157.33 174.48 15.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 111.607 179.563 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.85 -43.01 90.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.669 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.62 -56.44 19.82 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.448 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.437 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 26.0 p -50.67 -44.39 57.73 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.308 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.15 -51.77 68.18 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -51.83 -50.2 61.33 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.009 179.341 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -45.71 86.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.491 179.437 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.412 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 92.5 t -56.48 -40.4 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.538 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.513 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 99.7 t -66.74 -49.5 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 177.732 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.435 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . 95.2 mttt -47.01 -48.22 21.9 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.375 0.607 . . . . 0.0 110.171 178.499 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -59.32 -34.9 72.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.595 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.513 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 35.6 t80 -54.86 -62.32 1.74 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.004 179.078 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -68.6 -40.67 80.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.868 179.61 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.411 ' ND2' ' CG2' ' A' ' 39' ' ' VAL . 30.9 t-20 -49.55 -38.72 31.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.618 0.723 . . . . 0.0 109.731 178.313 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -94.86 -24.71 16.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.668 -1.151 . . . . 0.0 112.769 -179.484 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.0 m-20 -76.37 -41.86 46.63 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.062 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.18 -120.13 0.0 OUTLIER Glycine 0 CA--C 1.521 0.411 0 CA-C-N 114.465 -1.243 . . . . 0.0 115.884 179.841 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.412 ' CG2' ' ND2' ' A' ' 35' ' ' ASN . 88.7 t -84.91 -55.13 7.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 -175.731 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -86.9 26.79 1.08 Allowed 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -177.087 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.01 159.54 53.93 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 119.831 -1.176 . . . . 0.0 112.017 179.422 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -88.15 96.63 10.61 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.361 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.44 ' CH2' ' HA ' ' A' ' 31' ' ' LYS . 7.2 m0 -100.29 121.26 41.2 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.257 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.0 p -105.54 134.93 47.85 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.671 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.504 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 14.0 t80 -106.72 142.08 36.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.071 0.462 . . . . 0.0 112.062 -178.626 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -123.49 81.29 1.88 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.386 179.053 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.58 -35.99 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.552 -179.492 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.11 -34.09 20.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.261 -179.191 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 72.4 p -128.34 12.78 6.55 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.494 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm 54.1 30.63 12.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.938 0.399 . . . . 0.0 110.395 -179.565 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.583 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 95.5 m -105.25 149.36 26.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.655 -178.819 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.504 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 25.9 m-85 -125.35 95.34 4.43 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.424 0.631 . . . . 0.0 111.907 179.539 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -75.45 126.51 31.16 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.356 179.311 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 71.8 t -112.19 111.51 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.047 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.633 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 26.3 m -100.56 116.23 32.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.92 0.391 . . . . 0.0 111.784 -178.917 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.258 179.979 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtm . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 121.107 0.479 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -107.24 147.46 30.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.691 178.915 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 17' ' ' THR . 4.3 m-85 -129.38 148.51 51.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.742 0.306 . . . . 0.0 110.944 -179.738 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' B' ' 51' ' ' THR . 24.4 ttmm -108.01 107.84 18.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.172 179.716 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.532 ' HB ' HG21 ' A' ' 16' ' ' THR . 61.9 t -94.12 124.09 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.394 0.616 . . . . 0.0 111.496 -179.091 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.414 HG13 ' CG2' ' B' ' 51' ' ' THR . 72.2 mt -94.92 120.67 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.32 179.298 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.434 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.6 mt -99.0 88.64 4.03 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.752 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' B' ' 55' ' ' THR . 32.2 t-20 -97.66 106.81 19.18 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.225 -177.951 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.84 -165.89 14.05 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.562 -0.827 . . . . 0.0 112.5 179.28 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.468 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.4 mtmp? -76.98 -56.5 4.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.709 0.29 . . . . 0.0 111.053 -179.933 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.454 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 7.1 p -108.19 7.86 27.67 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.219 -179.299 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.525 HD11 ' CA ' ' B' ' 18' ' ' THR . 25.7 tp -138.76 137.98 37.21 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.265 0.555 . . . . 0.0 111.532 -179.486 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -145.45 146.29 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.749 179.192 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.504 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.6 -168.69 38.25 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 119.79 -1.195 . . . . 0.0 113.536 -179.854 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -146.54 135.27 22.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.962 0.41 . . . . 0.0 110.451 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.532 HG21 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -133.43 168.55 18.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.66 -179.961 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.409 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 40.1 p -143.21 116.88 9.22 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.734 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.516 ' CA ' HD11 ' B' ' 12' ' ' LEU . 12.1 t -103.65 140.33 37.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.599 178.274 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -100.14 108.42 20.55 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.338 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.37 150.23 38.82 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.2 0.524 . . . . 0.0 112.125 -178.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -51.08 -36.86 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.218 -178.827 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -145.94 172.04 13.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.907 0.384 . . . . 0.0 111.446 179.807 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.63 -42.71 83.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.668 -179.365 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.68 -53.08 59.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.649 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.9 p -53.51 -45.49 69.75 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.517 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.96 -52.89 63.45 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.092 177.986 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.34 -48.79 62.33 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.496 179.178 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -60.42 -43.42 96.75 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.07 0.462 . . . . 0.0 109.869 179.253 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.453 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 69.0 t -56.67 -41.41 74.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.243 178.932 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.591 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 30.6 t -66.4 -48.63 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.517 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 28.4 mtpp -49.29 -49.43 43.73 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.057 0.456 . . . . 0.0 110.069 178.711 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -60.66 -37.23 80.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.525 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.591 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 47.0 t80 -54.52 -60.44 3.34 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.053 179.087 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -69.73 -39.78 76.59 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.771 179.167 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 35.8 t-20 -49.44 -39.67 34.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.553 0.692 . . . . 0.0 109.778 178.67 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.71 -22.89 17.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.649 -1.16 . . . . 0.0 112.608 -179.861 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.473 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.9 m-20 -79.14 -46.29 18.27 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.61 -0.436 . . . . 0.0 109.943 179.216 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.62 -117.32 0.0 OUTLIER Glycine 0 CA--C 1.52 0.389 0 CA-C-N 114.774 -1.103 . . . . 0.0 115.431 179.86 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 21.5 t -110.01 5.03 8.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -176.295 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -125.15 12.97 8.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 118.582 0.628 . . . . 0.0 111.94 -179.812 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.29 174.77 53.58 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.607 -0.806 . . . . 0.0 113.062 -179.714 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -96.17 99.38 11.12 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.387 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.467 ' CZ3' HG13 ' B' ' 30' ' ' VAL . 20.8 m95 -91.4 111.86 23.53 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.468 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.4 p -108.32 134.9 50.5 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.188 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.497 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 9.0 t80 -111.41 147.08 35.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.053 0.454 . . . . 0.0 111.626 -178.845 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -123.23 81.9 1.94 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.6 179.509 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.412 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 54.8 m-20 -47.7 -35.16 9.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.617 -179.632 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.54 -33.7 15.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.979 -178.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.9 p -128.2 17.02 6.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.546 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mttm 48.47 35.65 6.2 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.107 0.479 . . . . 0.0 110.404 -179.425 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 95.6 m -116.43 140.94 48.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.565 -178.84 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.497 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 24.6 m-85 -106.97 130.03 54.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.439 179.417 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 3.0 p -111.23 123.63 50.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.157 0.503 . . . . 0.0 111.593 179.395 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -107.0 106.6 20.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.102 178.697 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 8.5 m -93.66 109.83 21.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.939 0.399 . . . . 0.0 111.882 -178.267 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.143 179.747 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtm . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 121.089 0.471 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -107.27 147.45 30.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.691 178.894 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' B' ' 17' ' ' THR . 4.1 m-85 -129.42 148.35 51.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.704 0.288 . . . . 0.0 110.996 -179.627 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 51' ' ' THR . 24.4 ttmm -107.9 107.85 18.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.163 179.739 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.53 ' HB ' HG21 ' B' ' 16' ' ' THR . 60.9 t -94.1 124.01 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.389 0.614 . . . . 0.0 111.559 -179.198 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 53' ' ' THR . 72.3 mt -94.89 120.64 44.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.279 179.352 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mt -98.98 88.58 4.02 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.669 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.51 ' O ' ' HA ' ' A' ' 55' ' ' THR . 32.2 t-20 -97.63 106.86 19.24 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.219 -177.807 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.93 -165.93 14.02 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.499 179.319 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.464 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.3 mtmp? -76.81 -56.69 4.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.868 0.366 . . . . 0.0 111.055 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.453 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 7.1 p -108.05 7.74 27.91 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.267 -179.256 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.516 HD11 ' CA ' ' A' ' 18' ' ' THR . 25.5 tp -138.76 138.14 37.35 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.347 0.594 . . . . 0.0 111.462 -179.485 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -145.46 146.21 31.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.771 179.252 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.502 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.6 -168.66 38.21 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 119.808 -1.187 . . . . 0.0 113.537 -179.878 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -146.55 135.15 22.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.917 0.389 . . . . 0.0 110.505 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.53 HG21 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -133.51 168.49 18.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.661 -179.981 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' B' ' 3' ' ' TYR . 39.9 p -143.21 117.0 9.29 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.666 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.525 ' CA ' HD11 ' A' ' 12' ' ' LEU . 12.1 t -103.7 140.35 37.72 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.512 178.385 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -100.18 108.48 20.6 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.285 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -143.45 150.22 38.7 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.326 0.584 . . . . 0.0 112.138 -178.997 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.98 -36.99 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.153 -178.776 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -145.89 172.07 13.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.912 0.387 . . . . 0.0 111.42 179.888 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.65 84.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.616 -179.319 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.54 -53.16 58.89 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.542 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 76.6 p -53.65 -45.44 70.22 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.612 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.94 -52.81 63.84 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.167 177.932 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.46 -48.75 62.7 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.512 179.129 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -60.41 -43.39 96.75 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.11 0.481 . . . . 0.0 109.882 179.215 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.454 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 69.0 t -56.78 -41.31 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.183 179.03 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.586 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 31.1 t -66.42 -48.67 80.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.51 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 28.3 mtpp -49.15 -49.49 42.08 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.094 0.473 . . . . 0.0 110.121 178.684 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -60.72 -37.11 80.6 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.073 179.593 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.586 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 46.5 t80 -54.6 -60.4 3.4 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.054 179.053 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -69.69 -39.84 76.71 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.726 179.157 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' B' ' 31' ' ' LYS . 35.8 t-20 -49.43 -39.73 33.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.562 0.696 . . . . 0.0 109.814 178.661 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.68 -22.85 17.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.574 -1.194 . . . . 0.0 112.634 -179.849 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.474 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.9 m-20 -79.08 -46.28 18.4 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.019 0.438 . . . . 0.0 109.976 179.182 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.8 -117.32 0.0 OUTLIER Glycine 0 C--N 1.334 0.429 0 CA-C-N 114.724 -1.125 . . . . 0.0 115.335 179.932 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.418 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 21.5 t -110.02 5.12 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -176.233 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -125.22 13.1 8.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 118.565 0.62 . . . . 0.0 111.941 -179.886 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.41 174.8 53.48 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.988 -179.657 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -96.2 99.29 11.03 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.487 179.675 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.465 ' CZ3' HG13 ' A' ' 30' ' ' VAL . 20.4 m95 -91.28 111.79 23.42 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -178.404 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 72.7 p -108.27 134.85 50.53 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.128 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 9.0 t80 -111.37 147.11 35.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.031 0.443 . . . . 0.0 111.663 -178.877 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -123.23 81.93 1.94 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.602 179.507 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.412 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 54.5 m-20 -47.73 -35.13 9.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.674 -179.642 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.68 -33.55 16.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.941 -178.907 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 72.6 p -128.32 17.03 6.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.458 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mttm 48.57 35.55 6.24 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.054 0.454 . . . . 0.0 110.362 -179.557 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 95.3 m -116.38 141.0 48.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.648 -178.882 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.494 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 24.6 m-85 -106.98 130.05 54.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.326 179.58 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -111.32 123.55 50.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.209 0.528 . . . . 0.0 111.451 179.449 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -106.99 106.68 21.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.039 178.601 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.514 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 8.4 m -93.67 109.89 21.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.071 0.463 . . . . 0.0 111.811 -178.342 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.171 -0.918 . . . . 0.0 111.142 179.65 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.467 ' CE ' ' CZ ' ' A' ' 3' ' ' TYR . 4.9 tmm? . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.678 0.275 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -95.72 134.94 38.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.676 0.274 . . . . 0.0 110.478 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.467 ' CZ ' ' CE ' ' A' ' 1' ' ' MET . 93.9 m-85 -125.02 140.41 52.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.068 -179.939 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.474 ' HB2' ' NZ ' ' A' ' 4' ' ' LYS . 4.8 ttmp? -105.59 110.33 22.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.067 179.367 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.52 ' HB ' HG23 ' A' ' 16' ' ' THR . 59.7 t -94.89 135.27 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-O 121.242 0.544 . . . . 0.0 110.789 -179.824 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.445 ' CG2' ' OD1' ' A' ' 8' ' ' ASN . 69.2 mt -110.85 130.25 64.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.353 -179.775 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.495 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.6 mt -109.6 102.78 11.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.242 -179.427 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.58 ' O ' ' HA ' ' B' ' 55' ' ' THR . 6.2 m120 -105.36 102.68 12.15 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.048 -178.794 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.19 151.34 17.64 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.539 179.173 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -46.27 -55.91 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.77 0.319 . . . . 0.0 111.705 -179.82 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.2 p -98.89 -4.85 32.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.064 -178.848 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 9' ' ' GLY . 18.4 tp -137.17 137.14 38.86 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.359 -179.558 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -145.25 145.56 31.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.68 179.599 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.64 -171.17 42.8 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.095 -1.05 . . . . 0.0 113.589 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -138.08 151.15 47.54 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.57 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.52 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -151.21 168.99 23.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.956 -179.435 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 73.2 p -143.67 122.84 12.93 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -179.023 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.474 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.9 t -111.17 144.51 40.21 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.964 178.874 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -104.78 113.67 27.4 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 179.602 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.11 151.29 37.46 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.245 0.545 . . . . 0.0 112.02 -179.327 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.3 t -50.94 -26.97 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.971 -179.006 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.447 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 7.3 p-10 -158.95 174.44 14.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.964 0.411 . . . . 0.0 111.778 179.564 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.65 -42.42 88.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.204 -179.595 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.16 -57.73 10.42 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.189 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.447 ' CG2' ' OD1' ' A' ' 22' ' ' ASP . 31.1 p -50.53 -44.85 56.45 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.038 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.26 -49.86 76.21 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.528 178.246 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 2.8 tp10 -52.14 -48.4 64.9 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.431 179.617 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 10.9 mptt -65.58 -48.97 70.52 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.551 179.46 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.5 t -49.51 -41.36 15.71 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.543 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.409 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 63.0 t -64.07 -46.38 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.555 177.393 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.594 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 37.3 mmtm -47.55 -52.96 15.87 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-O 121.134 0.493 . . . . 0.0 109.711 178.766 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.432 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 3.6 tp-100 -57.59 -39.67 77.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.268 179.658 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.495 ' CZ ' ' HB3' ' B' ' 7' ' ' LEU . 19.1 t80 -51.85 -67.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.007 179.411 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.451 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 26.1 m-85 -63.95 -36.86 85.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.208 179.439 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.432 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 29.4 t-20 -53.72 -38.81 64.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.391 0.615 . . . . 0.0 110.004 178.57 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -92.29 -24.01 19.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.864 -179.599 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 38' ' ' GLY . 79.7 m-20 -82.44 -46.13 13.88 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.013 0.435 . . . . 0.0 110.618 179.724 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -15.44 -110.84 0.0 OUTLIER Glycine 0 CA--C 1.52 0.361 0 N-CA-C 115.921 1.129 . . . . 0.0 115.921 -179.23 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.415 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 22.7 t -111.15 5.4 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -176.7 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -125.61 6.35 7.53 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.869 -0.519 . . . . 0.0 111.539 179.891 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.58 176.03 51.0 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.234 -179.417 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 2.3 mp0 -117.22 121.15 40.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.751 0.31 . . . . 0.0 110.3 179.532 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.593 ' CH2' ' HD3' ' B' ' 31' ' ' LYS . 10.6 m0 -120.15 144.55 47.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.051 -179.847 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.412 ' OG1' ' OG1' ' A' ' 53' ' ' THR . 68.5 p -113.73 142.78 45.62 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.159 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.488 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 14.2 t80 -109.21 142.37 40.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.979 0.419 . . . . 0.0 111.871 -178.785 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.48 81.68 1.92 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.301 179.296 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -48.33 -36.27 14.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.612 -179.485 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.93 -31.06 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.952 -179.274 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.9 p -128.13 13.59 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.77 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 50.98 33.14 8.4 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.763 0.316 . . . . 0.0 110.616 -179.755 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.44 ' CG2' HG13 ' B' ' 6' ' ' ILE . 93.4 m -121.76 141.7 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.272 0.558 . . . . 0.0 111.9 -178.822 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.488 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -111.39 147.17 35.79 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.156 179.67 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.412 ' OG1' ' OG1' ' A' ' 44' ' ' THR . 2.9 p -122.26 128.97 51.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.043 0.449 . . . . 0.0 111.323 178.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.412 HG22 ' CG ' ' A' ' 43' ' ' TRP . 68.3 t -108.64 112.52 40.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.981 179.325 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.574 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 31.3 m -105.68 119.32 38.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.825 0.345 . . . . 0.0 111.917 -178.821 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.792 179.89 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.469 ' CE ' ' CZ ' ' B' ' 3' ' ' TYR . 4.9 tmm? . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.619 0.247 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -95.85 134.98 38.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.764 0.316 . . . . 0.0 110.428 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.469 ' CZ ' ' CE ' ' B' ' 1' ' ' MET . 93.9 m-85 -125.03 140.48 52.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.997 -179.916 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.471 ' NZ ' ' HB2' ' B' ' 4' ' ' LYS . 4.8 ttmp? -105.59 110.26 22.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.109 179.36 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.516 ' HB ' HG23 ' B' ' 16' ' ' THR . 59.9 t -94.84 135.31 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 121.245 0.545 . . . . 0.0 110.771 -179.804 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.451 ' CG2' ' OD1' ' B' ' 8' ' ' ASN . 69.2 mt -110.91 130.26 64.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.335 -179.789 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.5 mt -109.65 102.86 11.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.181 -179.431 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.574 ' O ' ' HA ' ' A' ' 55' ' ' THR . 6.2 m120 -105.38 102.73 12.18 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.092 -178.87 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.32 151.21 17.64 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.456 179.312 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -46.11 -55.99 6.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.744 0.307 . . . . 0.0 111.811 -179.923 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 3.2 p -98.71 -4.91 32.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.105 -178.915 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' B' ' 9' ' ' GLY . 18.3 tp -137.17 137.16 38.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.743 0.306 . . . . 0.0 111.356 -179.446 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -145.34 145.48 31.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.631 179.671 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.488 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.71 -171.11 42.68 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.011 -1.09 . . . . 0.0 113.597 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -138.15 151.16 47.47 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.593 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.516 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -151.22 169.06 22.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.033 -179.503 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 72.7 p -143.77 122.75 12.79 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.737 0.644 . . . . 0.0 112.737 -178.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.479 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.7 t -111.1 144.44 40.22 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.872 178.924 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -104.65 113.67 27.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.47 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.23 151.31 37.38 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.253 0.549 . . . . 0.0 111.952 -179.327 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 31.2 t -50.91 -26.94 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.97 -178.929 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.448 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 7.3 p-10 -158.93 174.41 15.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 111.731 179.635 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.6 -42.44 88.1 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.3 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.15 -57.79 10.21 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.139 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 25' ' ' THR . . . . . 0.448 ' CG2' ' OD1' ' B' ' 22' ' ' ASP . 31.4 p -50.47 -44.84 55.84 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.027 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.3 -49.79 76.49 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.567 178.274 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 2.8 tp10 -52.2 -48.32 65.13 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.502 179.59 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.43 ' O ' ' HB2' ' B' ' 31' ' ' LYS . 10.9 mptt -65.63 -48.79 71.01 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.615 179.345 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 57.8 t -49.75 -41.24 16.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.621 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.41 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 63.4 t -64.11 -46.4 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.394 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.593 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 37.3 mmtm -47.53 -53.02 15.56 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-O 121.154 0.502 . . . . 0.0 109.68 178.796 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.435 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 3.6 tp-100 -57.56 -39.6 77.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.324 179.63 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 7' ' ' LEU . 18.8 t80 -51.97 -67.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.093 179.449 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.451 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 26.0 m-85 -63.93 -36.89 85.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.256 179.33 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.435 ' HB3' ' HA ' ' B' ' 32' ' ' GLN . 29.3 t-20 -53.75 -38.8 64.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.359 0.6 . . . . 0.0 109.963 178.602 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -92.23 -24.07 19.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.855 -179.651 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' B' ' 38' ' ' GLY . 79.7 m-20 -82.56 -45.98 13.94 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.937 0.398 . . . . 0.0 110.626 179.787 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -15.48 -110.79 0.0 OUTLIER Glycine 0 CA--C 1.52 0.402 0 N-CA-C 115.953 1.141 . . . . 0.0 115.953 -179.301 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.415 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 22.6 t -111.26 5.49 8.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -176.745 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -125.64 6.33 7.51 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.862 -0.523 . . . . 0.0 111.634 179.804 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.53 176.04 51.08 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.562 -0.828 . . . . 0.0 113.216 -179.436 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 2.3 mp0 -117.2 121.1 40.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.675 0.274 . . . . 0.0 110.376 179.538 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.594 ' CH2' ' HD3' ' A' ' 31' ' ' LYS . 10.5 m0 -119.96 144.46 47.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.153 -179.816 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 44' ' ' THR . . . . . 0.412 ' OG1' ' OG1' ' B' ' 53' ' ' THR . 68.7 p -113.75 142.7 45.72 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.206 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.49 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 14.2 t80 -109.22 142.32 40.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.984 0.421 . . . . 0.0 111.895 -178.825 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.38 81.62 1.91 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.386 179.206 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -48.23 -36.23 13.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.624 -179.457 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.03 -31.05 11.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.914 -179.233 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.8 p -128.1 13.55 6.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -179.837 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp 51.11 33.03 8.55 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.751 0.31 . . . . 0.0 110.605 -179.821 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.443 ' CG2' HG13 ' A' ' 6' ' ' ILE . 93.0 m -121.71 141.7 50.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.23 0.538 . . . . 0.0 112.004 -178.876 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.49 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 0.9 OUTLIER -111.43 147.3 35.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.183 179.712 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.412 ' OG1' ' OG1' ' B' ' 44' ' ' THR . 3.0 p -122.26 128.97 51.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.054 0.454 . . . . 0.0 111.28 179.12 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.414 HG22 ' CG ' ' B' ' 43' ' ' TRP . 68.0 t -108.73 112.58 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.912 179.336 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.58 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 32.0 m -105.82 119.28 38.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.361 . . . . 0.0 111.892 -178.804 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.805 179.881 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.423 ' HE3' ' CZ ' ' A' ' 3' ' ' TYR . 49.3 ttp . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.836 0.35 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -102.75 144.37 31.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.163 179.333 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.423 ' CZ ' ' HE3' ' A' ' 1' ' ' MET . 3.0 m-85 -130.79 148.68 52.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.873 0.368 . . . . 0.0 110.762 -179.922 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' B' ' 51' ' ' THR . 5.0 ttpm? -107.41 151.2 25.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.913 179.444 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.491 ' HB ' HG23 ' A' ' 16' ' ' THR . 58.2 t -134.57 121.94 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.416 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.453 HG13 ' CG2' ' B' ' 51' ' ' THR . 76.8 mt -94.74 124.83 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.057 179.497 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.447 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 12.3 mt -105.73 85.96 2.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.445 -179.23 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.595 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.3 m120 -94.05 109.75 21.49 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.747 -179.302 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.402 ' HA3' ' HE1' ' B' ' 33' ' ' PHE . . . -116.44 -165.86 14.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.671 179.568 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' NZ ' ' HB3' ' A' ' 10' ' ' LYS . 0.9 OUTLIER -75.94 -58.0 3.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.11 0.481 . . . . 0.0 110.558 179.957 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.441 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 6.6 p -108.79 8.49 26.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.237 -179.329 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.501 HD13 ' CA ' ' B' ' 18' ' ' THR . 23.9 tp -140.08 139.58 35.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.192 0.52 . . . . 0.0 111.489 -179.407 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -145.22 147.17 32.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.012 179.391 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.463 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.09 -166.14 35.5 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 119.839 -1.172 . . . . 0.0 113.666 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -149.1 152.7 36.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.932 0.396 . . . . 0.0 110.683 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.491 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -151.06 169.48 21.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.633 -179.69 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 4' ' ' LYS . 43.0 p -142.22 119.59 11.58 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -178.49 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.509 ' CA ' HD13 ' B' ' 12' ' ' LEU . 15.0 t -107.79 141.61 39.1 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.571 179.25 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' A' ' 1' ' ' MET . 17.9 tp10 -98.6 110.34 22.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.885 179.29 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.62 147.43 31.06 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 121.255 0.55 . . . . 0.0 111.953 -179.15 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.2 -35.36 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.438 -178.792 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -148.84 172.75 14.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 0.0 111.391 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.03 -43.16 86.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.496 -179.452 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.58 -54.32 41.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.694 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.0 p -53.9 -45.81 71.22 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 178.281 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.1 -54.16 50.19 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 177.8 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -48.18 -49.28 33.21 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.214 178.811 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -61.1 -45.22 95.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.748 178.964 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.443 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 98.7 t -58.16 -39.52 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.195 179.085 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 99.0 t -68.69 -51.58 44.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.268 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -50.48 -41.58 53.34 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.872 0.367 . . . . 0.0 110.05 178.616 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -64.03 -37.11 86.25 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.457 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.526 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 51.0 t80 -55.01 -60.38 3.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.215 179.171 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -69.28 -40.38 77.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.796 179.497 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -50.56 -38.3 44.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.499 0.666 . . . . 0.0 109.89 178.54 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.29 -23.32 17.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.431 -179.659 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.2 m-20 -80.89 -46.74 14.77 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.664 -0.414 . . . . 0.0 109.946 179.178 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.32 -115.58 0.0 OUTLIER Glycine 0 CA--C 1.52 0.374 0 N-CA-C 115.683 1.033 . . . . 0.0 115.683 179.743 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.405 ' CG1' ' O ' ' A' ' 39' ' ' VAL . 24.7 t -103.85 -0.44 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -175.947 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -125.2 16.7 8.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 119.126 0.875 . . . . 0.0 112.086 -179.626 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.86 167.81 53.05 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.488 -0.863 . . . . 0.0 113.145 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 47.6 mp0 -95.3 99.48 11.42 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.288 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -99.45 123.34 43.64 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -177.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.1 p -109.94 135.9 50.07 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 177.8 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.511 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 26.3 t80 -104.86 144.57 31.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.068 0.461 . . . . 0.0 111.938 -178.727 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -123.21 81.23 1.86 Allowed 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.649 179.32 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.57 -36.57 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.795 -179.392 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.97 -33.67 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -178.887 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.7 p -128.32 15.74 6.64 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.659 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm 52.39 31.97 10.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.946 0.403 . . . . 0.0 110.293 -179.695 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.459 ' CG2' HG13 ' B' ' 6' ' ' ILE . 97.6 m -105.94 151.65 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.171 -179.385 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.511 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 22.8 m-85 -124.61 95.77 4.65 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.108 0.48 . . . . 0.0 111.51 179.602 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.5 p -75.22 124.91 27.9 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.787 179.715 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.6 t -108.28 98.59 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.277 178.81 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 3.5 m -91.89 116.54 29.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.499 -178.677 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.783 179.88 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.42 ' HE3' ' CZ ' ' B' ' 3' ' ' TYR . 49.5 ttp . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.773 0.32 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -102.61 144.34 31.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.252 179.276 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.42 ' CZ ' ' HE3' ' B' ' 1' ' ' MET . 3.0 m-85 -130.78 148.72 52.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.97 0.414 . . . . 0.0 110.78 -179.933 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 51' ' ' THR . 5.0 ttpm? -107.48 151.28 25.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.911 179.473 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.497 ' HB ' HG23 ' B' ' 16' ' ' THR . 58.0 t -134.7 121.83 36.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.275 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.459 HG13 ' CG2' ' A' ' 51' ' ' THR . 76.7 mt -94.65 124.78 47.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.14 179.497 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 12.3 mt -105.77 85.9 2.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.435 -179.172 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.599 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.3 m120 -94.04 109.76 21.49 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.842 -179.357 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.402 ' HA3' ' HE1' ' A' ' 33' ' ' PHE . . . -116.45 -165.91 14.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.597 179.673 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.47 ' NZ ' ' HB3' ' B' ' 10' ' ' LYS . 0.9 OUTLIER -75.92 -58.03 3.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.022 0.439 . . . . 0.0 110.536 179.96 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.443 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 6.5 p -108.71 8.59 26.94 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.291 -179.333 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.509 HD13 ' CA ' ' A' ' 18' ' ' THR . 23.8 tp -140.21 139.43 35.64 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.149 0.5 . . . . 0.0 111.512 -179.315 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.43 ' N ' ' HD2' ' B' ' 13' ' ' LYS . 0.0 OUTLIER -145.13 147.21 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.993 179.409 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.467 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.01 -166.21 35.66 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 119.825 -1.179 . . . . 0.0 113.658 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -149.05 152.77 36.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.878 0.37 . . . . 0.0 110.715 -179.915 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.497 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.1 OUTLIER -151.14 169.36 22.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.702 -179.624 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' B' B ' 17' ' ' THR . . . . . 0.413 ' HA ' ' HA ' ' B' ' 4' ' ' LYS . 42.3 p -142.17 119.6 11.62 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.426 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.501 ' CA ' HD13 ' A' ' 12' ' ' LEU . 14.9 t -107.75 141.61 39.03 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.599 179.22 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' B' ' 1' ' ' MET . 17.9 tp10 -98.58 110.19 22.83 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.304 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.4 ' HB2' ' HA ' ' B' ' 26' ' ' ALA . . . -146.53 147.55 31.26 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.173 0.511 . . . . 0.0 112.036 -179.281 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.23 -35.48 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.312 -178.733 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -148.87 172.72 14.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.867 0.365 . . . . 0.0 111.394 179.892 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.22 86.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.526 -179.417 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.48 -54.21 43.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.604 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 70.9 p -54.01 -45.75 71.61 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.309 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.4 ' HA ' ' HB2' ' B' ' 20' ' ' ALA . . . -59.23 -54.11 50.65 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 177.896 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -48.21 -49.18 33.92 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.24 178.817 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -61.14 -45.34 95.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.743 178.97 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.441 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 97.2 t -58.03 -39.54 72.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.141 179.082 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.528 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 98.9 t -68.77 -51.64 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.403 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 mttp -50.37 -41.57 52.02 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 120.915 0.388 . . . . 0.0 110.105 178.612 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -63.97 -37.29 86.86 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.436 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.528 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 50.9 t80 -54.83 -60.43 3.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.276 179.109 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -69.32 -40.21 77.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.822 179.506 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -50.85 -38.21 47.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.477 0.656 . . . . 0.0 109.885 178.515 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.24 -23.27 17.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.878 -1.055 . . . . 0.0 112.444 -179.767 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.4 m-20 -80.93 -46.56 14.99 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.022 179.179 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.57 -115.65 0.0 OUTLIER Glycine 0 CA--C 1.52 0.39 0 N-CA-C 115.627 1.011 . . . . 0.0 115.627 179.751 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.41 ' CG1' ' O ' ' B' ' 39' ' ' VAL . 24.0 t -103.66 -0.39 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -175.952 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -125.3 16.96 8.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 119.061 0.846 . . . . 0.0 112.06 -179.722 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.82 167.79 53.07 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.099 -179.66 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.46 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 48.0 mp0 -95.29 99.64 11.55 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.22 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -99.73 123.27 43.83 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -177.951 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.7 p -109.86 135.8 50.17 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.888 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 26.1 t80 -104.92 144.66 31.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.999 0.428 . . . . 0.0 111.988 -178.805 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -123.26 81.28 1.87 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.634 179.432 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.63 -36.63 7.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.844 -179.366 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.8 -33.79 17.62 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.929 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.3 p -128.25 15.63 6.68 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.613 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 52.34 31.98 10.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.894 0.378 . . . . 0.0 110.36 -179.591 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.453 ' CG2' HG13 ' A' ' 6' ' ' ILE . 97.2 m -105.68 151.68 24.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.307 -179.498 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.507 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 22.9 m-85 -124.72 95.78 4.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.158 0.504 . . . . 0.0 111.45 179.569 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.6 p -75.28 124.96 28.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.798 179.635 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.9 t -108.3 98.67 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.279 178.739 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.595 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 3.6 m -92.02 116.45 28.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.592 -178.739 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.874 179.935 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.704 0.287 . . . . 0.0 110.365 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -104.51 137.97 41.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.438 ' CE2' ' HE3' ' B' ' 50' ' ' LYS . 12.9 m-85 -121.37 148.83 43.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.744 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' B' ' 51' ' ' THR . 62.8 tttp -108.29 104.88 14.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.111 179.782 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.508 ' HB ' HG21 ' A' ' 16' ' ' THR . 64.2 t -94.4 120.33 43.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.442 0.639 . . . . 0.0 111.36 -179.381 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.7 mt -96.03 125.67 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.868 179.838 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.464 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 19.2 mt -104.82 93.52 4.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.5 179.606 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.7 t-20 -100.35 109.45 21.64 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.792 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.442 ' CA ' ' HB3' ' B' ' 56' ' ' GLU . . . -118.47 -166.29 13.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.606 179.217 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.552 ' HG2' ' HG2' ' B' ' 56' ' ' GLU . 4.9 mmmp? -80.33 -57.27 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 0.0 111.025 179.918 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.449 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 8.2 p -103.76 3.87 34.57 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.274 -179.482 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.477 HD13 ' CA ' ' B' ' 18' ' ' THR . 22.8 tp -137.76 138.47 39.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.316 0.579 . . . . 0.0 111.619 -179.461 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -145.18 143.68 30.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.824 179.449 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.462 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.53 -174.64 42.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 119.845 -1.169 . . . . 0.0 113.577 -179.94 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -140.97 135.91 31.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.8 0.334 . . . . 0.0 110.176 179.696 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.508 HG21 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -135.67 167.21 21.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.991 -179.818 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 51.2 p -143.35 119.08 10.48 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -178.588 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.486 ' CA ' HD13 ' B' ' 12' ' ' LEU . 12.0 t -107.59 144.45 34.61 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.89 178.617 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -102.75 114.08 28.03 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.437 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.2 152.39 37.14 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.305 0.574 . . . . 0.0 112.287 -179.212 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.3 t -51.11 -35.57 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.329 -178.899 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -148.41 172.13 14.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.37 . . . . 0.0 111.453 179.832 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.33 -42.71 87.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.375 -179.467 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.3 -55.63 26.31 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.452 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.1 p -51.73 -44.66 63.32 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.362 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.49 -51.24 70.3 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.058 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 89.3 tt0 -51.37 -50.18 60.05 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.755 179.359 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -64.28 -45.16 89.27 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.547 179.384 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.449 ' CG1' ' OG1' ' B' ' 11' ' ' THR . 98.6 t -55.07 -40.86 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.657 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.557 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 22.0 t -65.63 -47.13 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.295 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.465 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 9.4 mtpm? -47.51 -49.6 25.54 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.368 0.604 . . . . 0.0 109.724 178.509 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -58.61 -37.15 75.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.461 179.933 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.557 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 47.0 t80 -53.8 -64.82 0.7 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.874 178.863 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.436 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 28.5 m-85 -65.57 -39.14 91.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.347 179.22 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.412 ' ND2' HG22 ' B' ' 39' ' ' VAL . 34.8 t-20 -50.61 -38.82 47.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.487 0.66 . . . . 0.0 109.774 178.42 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -94.52 -22.29 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.195 -179.807 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.487 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.5 m-20 -83.32 -46.6 12.42 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.675 179.826 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -10.71 -112.19 0.0 OUTLIER Glycine 0 CA--C 1.522 0.495 0 N-CA-C 115.678 1.031 . . . . 0.0 115.678 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.413 ' CG1' ' O ' ' A' ' 39' ' ' VAL . 21.5 t -111.3 5.32 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -176.419 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -122.62 10.76 9.75 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.74 -0.6 . . . . 0.0 111.987 -179.626 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.18 179.31 50.83 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.895 -179.826 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 49.0 mp0 -103.95 103.91 13.81 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.596 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.408 ' CZ3' HG12 ' B' ' 30' ' ' VAL . 12.9 m95 -94.74 118.69 32.15 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.638 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.7 p -111.47 138.09 48.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.578 178.424 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.532 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 9.6 t80 -110.54 145.91 36.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 111.655 -178.889 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.15 81.85 1.93 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.632 179.61 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.417 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 52.1 m-20 -45.86 -35.71 4.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.808 -179.523 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.71 -35.86 23.4 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.908 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.2 p -128.23 15.74 6.69 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.759 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HE3' ' CE2' ' B' ' 3' ' ' TYR . 31.3 mmmt 51.87 32.06 9.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.017 0.436 . . . . 0.0 110.048 -179.57 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 52' ' ' PHE . 85.2 m -110.96 149.97 29.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.664 -178.766 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.532 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 31.1 m-85 -119.32 134.05 55.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.996 179.096 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -111.14 93.17 4.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.184 0.516 . . . . 0.0 111.757 179.326 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.4 t -82.6 118.46 30.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.151 178.867 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.463 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 11.0 m -85.09 160.32 20.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.265 0.555 . . . . 0.0 111.796 -178.2 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.545 ' HG2' ' HG2' ' B' ' 10' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.228 179.554 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.726 0.298 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -104.6 138.07 41.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.957 0.408 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.44 ' CE2' ' HE3' ' A' ' 50' ' ' LYS . 13.3 m-85 -121.39 148.83 43.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 179.732 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 51' ' ' THR . 62.8 tttp -108.2 104.81 14.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.306 179.631 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.51 ' HB ' HG21 ' B' ' 16' ' ' THR . 63.5 t -94.42 120.38 43.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.445 0.64 . . . . 0.0 111.406 -179.299 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.446 HD12 HG21 ' B' ' 6' ' ' ILE . 68.9 mt -96.04 125.68 48.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.874 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 19.0 mt -104.77 93.56 4.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.462 179.619 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.421 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.7 t-20 -100.53 109.49 21.6 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -177.779 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.447 ' CA ' ' HB3' ' A' ' 56' ' ' GLU . . . -118.42 -166.36 13.64 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.606 179.25 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.545 ' HG2' ' HG2' ' A' ' 56' ' ' GLU . 4.9 mmmp? -80.38 -57.36 3.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 11' ' ' THR . . . . . 0.449 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 8.3 p -103.72 3.91 34.74 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.335 -179.429 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.486 HD13 ' CA ' ' A' ' 18' ' ' THR . 22.9 tp -137.67 138.44 39.41 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.197 0.522 . . . . 0.0 111.672 -179.468 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -145.21 143.74 30.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.849 179.345 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.459 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.55 -174.72 42.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 119.814 -1.184 . . . . 0.0 113.486 -179.824 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -140.96 136.05 31.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.915 0.388 . . . . 0.0 110.136 179.636 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.51 HG21 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -135.7 167.24 21.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.946 -179.764 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 50.7 p -143.46 119.02 10.37 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -178.629 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.477 ' CA ' HD13 ' A' ' 12' ' ' LEU . 12.1 t -107.57 144.43 34.6 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.924 178.607 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -102.71 113.91 27.71 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.488 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.09 152.36 37.22 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.235 0.541 . . . . 0.0 112.416 -179.239 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.2 t -51.18 -35.53 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.258 -178.872 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -148.42 172.14 14.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.899 0.38 . . . . 0.0 111.404 179.891 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.2 -42.88 87.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.394 -179.562 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.18 -55.61 26.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.48 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 35.5 p -51.76 -44.67 63.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.363 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.41 -51.31 70.02 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.04 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' B' ' 31' ' ' LYS . 89.2 tt0 -51.28 -50.21 59.73 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.879 179.288 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -64.32 -45.07 89.51 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.549 179.366 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.449 ' CG1' ' OG1' ' A' ' 11' ' ' THR . 98.7 t -55.04 -40.93 56.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.574 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.556 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 21.9 t -65.52 -47.17 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.211 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.462 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 9.4 mtpm? -47.46 -49.62 25.04 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.43 0.633 . . . . 0.0 109.836 178.486 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -58.52 -37.25 75.23 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.392 179.895 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.556 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 47.0 t80 -53.75 -64.81 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.921 178.885 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.436 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 28.6 m-85 -65.48 -39.28 91.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.376 179.132 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . 0.413 ' ND2' HG22 ' A' ' 39' ' ' VAL . 34.8 t-20 -50.5 -39.02 47.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.519 0.676 . . . . 0.0 109.762 178.44 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -94.35 -22.46 18.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.794 -1.094 . . . . 0.0 112.21 -179.781 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.487 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.5 m-20 -83.22 -46.69 12.39 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.594 179.895 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -10.77 -112.22 0.0 OUTLIER Glycine 0 CA--C 1.521 0.456 0 N-CA-C 115.689 1.036 . . . . 0.0 115.689 -179.844 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 21.4 t -111.2 5.31 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -176.416 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -122.54 10.74 9.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.685 -0.634 . . . . 0.0 111.944 -179.622 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.25 179.36 50.75 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.847 -179.734 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 48.8 mp0 -103.99 103.92 13.81 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.61 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.408 ' CZ3' HG12 ' A' ' 30' ' ' VAL . 13.1 m95 -94.81 118.65 32.1 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -178.6 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 56.4 p -111.48 138.09 48.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.537 178.393 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.532 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 9.7 t80 -110.55 145.88 37.02 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.859 0.362 . . . . 0.0 111.685 -178.889 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.09 81.98 1.94 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.595 179.628 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.42 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 52.1 m-20 -45.94 -35.77 4.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.73 -179.555 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.71 -35.81 23.2 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.844 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.2 p -128.33 15.87 6.63 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.744 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . 0.438 ' HE3' ' CE2' ' A' ' 3' ' ' TYR . 31.3 mmmt 51.83 32.05 9.16 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.0 0.429 . . . . 0.0 110.096 -179.596 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 51' ' ' THR . . . . . 0.447 HG23 ' N ' ' B' ' 52' ' ' PHE . 85.1 m -111.06 150.0 29.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.542 -178.66 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.532 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 31.0 m-85 -119.36 134.09 55.39 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.96 179.11 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -111.22 93.24 4.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.328 0.585 . . . . 0.0 111.758 179.294 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 49.7 t -82.62 118.43 30.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.169 178.827 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.462 ' O ' ' OD1' ' B' ' 37' ' ' ASN . 10.9 m -85.07 160.35 20.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.229 0.537 . . . . 0.0 111.818 -178.179 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.552 ' HG2' ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.305 179.534 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.7 mmm . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.808 0.337 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -99.81 132.67 45.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.312 179.63 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -126.81 143.96 51.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -105.43 110.13 22.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.699 179.992 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.528 ' HB ' HG22 ' A' ' 16' ' ' THR . 61.2 t -95.21 126.73 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.36 0.6 . . . . 0.0 110.766 179.878 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.434 HG21 ' ND2' ' A' ' 8' ' ' ASN . 69.0 mt -101.75 127.1 55.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.602 -179.921 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.473 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.4 mt -106.59 84.96 2.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.37 -179.32 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.542 ' O ' ' HA ' ' B' ' 55' ' ' THR . 78.9 m-20 -90.66 102.7 15.45 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.122 0.487 . . . . 0.0 112.248 -179.122 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.74 151.95 17.26 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.516 179.248 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -46.02 -58.17 3.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.825 0.345 . . . . 0.0 111.69 179.784 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.405 ' HB ' HG13 ' B' ' 29' ' ' VAL . 4.2 p -98.17 -5.88 32.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.926 -178.945 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 9' ' ' GLY . 14.3 tp -134.53 135.46 42.37 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.055 -179.691 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.2 mttp -145.14 144.74 31.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.64 179.943 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.93 -168.63 39.04 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.16 -1.019 . . . . 0.0 113.416 179.78 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -143.47 141.87 30.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.836 0.351 . . . . 0.0 110.462 179.842 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.528 HG22 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -142.66 169.19 18.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.129 -179.422 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 70.7 p -143.64 121.55 12.02 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -178.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.502 ' CA ' HD11 ' B' ' 12' ' ' LEU . 11.9 t -106.07 142.6 35.5 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.892 178.704 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -102.49 114.45 28.66 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 179.648 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.424 ' HB1' ' HA ' ' A' ' 26' ' ' ALA . . . -149.04 151.06 33.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.229 0.538 . . . . 0.0 112.172 -179.402 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -51.12 -36.73 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.261 -178.732 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -145.61 171.32 14.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.833 0.349 . . . . 0.0 111.329 179.784 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.31 -42.74 82.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.545 -179.336 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.81 -54.4 39.46 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.587 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.0 p -52.74 -46.02 67.26 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.426 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.424 ' HA ' ' HB1' ' A' ' 20' ' ' ALA . . . -59.85 -53.28 59.76 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.04 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 88.9 tt0 -50.62 -48.88 57.85 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.497 178.851 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -58.79 -41.19 86.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 179.493 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.4 t -56.44 -39.96 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.406 179.611 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.483 ' CG1' ' CE2' ' A' ' 34' ' ' PHE . 57.9 t -62.9 -47.35 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.608 178.795 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' CE ' ' CZ3' ' B' ' 43' ' ' TRP . 1.2 mptm? -50.97 -47.5 61.31 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.464 179.108 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.417 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -64.6 -39.77 94.32 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.846 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.48 ' CZ ' ' HB3' ' B' ' 7' ' ' LEU . 29.6 t80 -53.91 -58.8 5.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.433 179.413 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.483 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 24.3 m-85 -70.23 -38.28 75.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.802 179.604 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -51.68 -38.59 55.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.353 0.597 . . . . 0.0 110.164 178.409 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -94.01 -24.54 17.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.424 -179.333 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 38' ' ' GLY . 88.2 m-20 -79.28 -46.28 18.08 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.102 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.445 ' HA2' ' CB ' ' B' ' 34' ' ' PHE . . . -7.52 -118.88 0.0 OUTLIER Glycine 0 C--N 1.334 0.439 0 CA-C-N 114.595 -1.184 . . . . 0.0 115.815 179.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.425 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 40.7 t -111.89 4.99 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -176.984 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -125.29 9.23 7.91 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 121.977 -0.452 . . . . 0.0 111.559 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.33 179.14 51.72 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.853 -179.705 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -114.74 117.92 32.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.926 0.393 . . . . 0.0 110.819 179.785 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.484 ' CD1' HG12 ' A' ' 54' ' ' VAL . 12.0 m0 -121.53 146.38 47.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.799 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -115.33 142.59 46.48 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.3 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 9.7 t80 -109.51 144.74 37.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 111.589 -178.936 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -123.3 82.93 2.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.698 179.607 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.412 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 54.0 m-20 -45.6 -37.91 6.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.644 -179.642 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.09 -32.13 14.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.009 -179.134 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.8 p -128.09 13.18 6.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.592 -179.794 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' CB ' ' NZ ' ' A' ' 50' ' ' LYS . 3.1 mtmp? 47.94 37.88 8.27 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.924 0.392 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.6 m -121.69 140.71 51.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.404 -179.382 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.509 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.5 m-85 -108.34 145.73 34.03 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.874 179.549 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -122.37 129.81 52.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.241 0.543 . . . . 0.0 111.201 179.316 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 43' ' ' TRP . 90.4 t -107.95 110.2 31.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.318 179.736 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.542 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 18.0 m -102.65 115.57 30.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.928 0.394 . . . . 0.0 111.381 -179.249 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.713 179.926 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.4 mmm . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.919 0.39 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -99.76 132.65 44.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.445 179.502 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -126.79 143.93 51.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -105.31 110.28 22.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.637 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.524 ' HB ' HG22 ' B' ' 16' ' ' THR . 61.5 t -95.28 126.79 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.34 0.591 . . . . 0.0 110.738 179.789 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.433 HG21 ' ND2' ' B' ' 8' ' ' ASN . 68.7 mt -101.91 127.14 55.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.616 -179.935 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.3 mt -106.51 84.91 2.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.343 -179.246 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.542 ' O ' ' HA ' ' A' ' 55' ' ' THR . 79.0 m-20 -90.68 102.69 15.44 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.158 -179.129 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.61 151.87 17.33 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.542 179.147 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -45.95 -58.1 3.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.894 0.378 . . . . 0.0 111.808 179.688 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 4.3 p -98.22 -5.86 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.983 -179.047 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 12' ' ' LEU . . . . . 0.502 HD11 ' CA ' ' A' ' 18' ' ' THR . 14.2 tp -134.55 135.45 42.31 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.965 -179.647 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -145.2 144.94 31.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.689 179.82 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . 0.478 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.82 -168.68 39.18 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.099 -1.048 . . . . 0.0 113.353 179.876 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -143.31 141.85 31.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.504 179.852 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.524 HG22 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -142.61 169.07 18.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 -179.469 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 70.6 p -143.57 121.63 12.12 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.072 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 18' ' ' THR . . . . . 0.5 ' CA ' HD11 ' A' ' 12' ' ' LEU . 11.8 t -106.09 142.62 35.47 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.825 178.743 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -102.39 114.33 28.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 179.585 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . 0.425 ' HB1' ' HA ' ' B' ' 26' ' ' ALA . . . -149.06 151.05 33.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.283 0.563 . . . . 0.0 112.119 -179.403 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -51.0 -36.85 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.296 -178.723 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -145.48 171.38 14.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.368 . . . . 0.0 111.282 179.77 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.67 82.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.603 -179.405 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.76 -54.44 39.1 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.464 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 25' ' ' THR . . . . . . . . . . . . . 75.4 p -52.77 -45.94 67.34 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.371 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . 0.425 ' HA ' ' HB1' ' B' ' 20' ' ' ALA . . . -59.79 -53.39 58.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.126 177.9 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . 0.412 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 88.9 tt0 -50.63 -48.9 57.91 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.535 178.893 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -58.72 -41.19 85.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.56 179.455 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.405 HG13 ' HB ' ' A' ' 11' ' ' THR . 58.1 t -56.45 -39.97 64.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.444 179.605 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.483 ' CG1' ' CE2' ' B' ' 34' ' ' PHE . 57.8 t -62.83 -47.5 92.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.573 178.72 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.456 ' CE ' ' CZ3' ' A' ' 43' ' ' TRP . 1.2 mptm? -50.85 -47.51 60.26 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.029 0.443 . . . . 0.0 110.556 179.139 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.42 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -64.71 -39.67 94.04 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.828 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' B' B ' 33' ' ' PHE . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 7' ' ' LEU . 29.7 t80 -53.97 -58.79 5.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.401 179.407 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 34' ' ' PHE . . . . . 0.483 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 24.3 m-85 -70.13 -38.36 75.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.862 179.533 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -51.72 -38.59 55.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.239 0.542 . . . . 0.0 110.083 178.494 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -94.0 -24.54 17.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.463 -179.375 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' B' ' 38' ' ' GLY . 88.2 m-20 -79.14 -46.37 18.12 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.04 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.445 ' HA2' ' CB ' ' A' ' 34' ' ' PHE . . . -7.59 -118.89 0.0 OUTLIER Glycine 0 C--N 1.334 0.418 0 CA-C-N 114.553 -1.203 . . . . 0.0 115.727 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 40.7 t -111.86 5.07 8.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -176.936 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -125.32 9.1 7.88 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 122.024 -0.422 . . . . 0.0 111.634 179.934 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.27 179.24 51.78 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.867 -179.649 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -114.82 117.85 31.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.829 0.347 . . . . 0.0 110.782 179.847 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.479 ' CD1' HG12 ' B' ' 54' ' ' VAL . 12.0 m0 -121.58 146.41 46.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.3 p -115.23 142.62 46.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.386 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 45' ' ' TYR . . . . . 0.506 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 9.8 t80 -109.63 144.75 37.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.934 0.397 . . . . 0.0 111.524 -178.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.7 t0 -123.28 82.87 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.598 179.726 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 47' ' ' ASP . . . . . 0.413 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 53.9 m-20 -45.6 -37.85 5.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.745 -179.685 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.0 -32.26 14.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.954 -179.226 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 70.0 p -128.1 13.19 6.71 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.8 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? 47.9 37.9 8.2 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.927 0.394 . . . . 0.0 110.941 -179.823 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 94.8 m -121.68 140.76 51.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.33 -179.371 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.506 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.5 m-85 -108.31 145.62 34.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.879 179.507 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -122.25 129.84 52.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.121 0.486 . . . . 0.0 111.253 179.225 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.479 HG12 ' CD1' ' B' ' 43' ' ' TRP . 93.0 t -107.91 110.32 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.247 179.716 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.542 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 17.8 m -102.68 115.55 30.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.885 0.374 . . . . 0.0 111.452 -179.356 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.721 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.68 0.276 . . . . 1.79 110.366 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -126.6 145.79 50.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.43 110.985 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.798 ' O ' HG23 ' B' ' 51' ' ' THR . 62.3 tttp -102.1 108.24 19.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.0 -0.546 . . . . 2.35 110.25 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.707 ' HB ' HG23 ' A' ' 16' ' ' THR . 49.9 t -95.65 131.95 41.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.017 0.437 . . . . 0.31 111.126 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.411 HG13 ' CG2' ' B' ' 51' ' ' THR . 73.6 mt -107.73 118.6 55.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.928 -0.578 . . . . 0.35 110.759 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.482 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 15.5 mt -96.93 82.29 3.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.964 -0.562 . . . . 0.33 109.491 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.642 ' O ' ' HA ' ' B' ' 55' ' ' THR . 34.4 t-20 -94.17 109.56 21.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.46 -0.791 . . . . 2.09 112.379 -178.089 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.03 -167.04 13.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.57 111.738 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -86.69 -58.12 2.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.045 0.45 . . . . 2.94 110.038 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.478 ' HB ' HG11 ' B' ' 29' ' ' VAL . 7.5 p -94.57 -5.33 46.11 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.735 -0.666 . . . . 0.23 110.688 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.991 HD13 ' HB ' ' B' ' 18' ' ' THR . 22.8 tp -135.68 136.35 40.83 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.119 0.485 . . . . 0.14 111.506 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.469 ' H ' HD12 ' A' ' 12' ' ' LEU . 36.6 mtmm -145.36 145.11 31.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.589 -0.732 . . . . 2.46 110.406 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.477 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -176.9 -172.35 41.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.213 -0.994 . . . . 0.15 113.383 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -142.01 138.65 32.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 1.92 110.442 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.785 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -139.79 168.88 18.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.18 111.258 -179.323 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.511 HG22 ' HA ' ' A' ' 4' ' ' LYS . 60.1 p -143.61 120.02 10.96 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.847 0.684 . . . . 0.16 112.847 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.996 ' HB ' HD13 ' B' ' 12' ' ' LEU . 15.3 t -108.94 147.18 32.63 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.856 -0.611 . . . . 0.15 109.44 178.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -108.73 119.17 38.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.516 0.198 . . . . 2.06 110.686 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.689 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -148.98 149.65 31.52 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.244 0.545 . . . . 0.26 111.87 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 t -50.4 -24.9 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.358 -0.837 . . . . 0.35 111.993 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.559 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -156.76 174.57 15.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.893 0.378 . . . . 1.3 111.42 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.48 91.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.31 111.381 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 -54.97 31.03 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.942 -0.392 . . . . 0.35 109.942 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.867 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.7 p -50.34 -46.3 55.56 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.901 -0.778 . . . . 0.35 108.901 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.758 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -58.41 -53.54 57.15 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.702 -0.681 . . . . 0.26 109.204 178.127 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -51.98 -45.13 64.34 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 115.911 -0.586 . . . . 1.96 110.446 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -66.01 -49.45 67.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.865 -0.607 . . . . 1.98 110.301 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 25' ' ' THR . 81.9 t -54.01 -41.89 52.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.471 . . . . 0.4 109.913 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 26' ' ' ALA . 57.3 t -63.16 -47.49 92.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.657 -0.702 . . . . 0.36 109.425 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -51.19 -43.17 61.3 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 116.323 -0.399 . . . . 2.12 110.493 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -61.14 -38.51 86.68 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.27 -0.641 . . . . 2.1 109.27 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.858 ' CG ' HD23 ' B' ' 12' ' ' LEU . 37.8 t80 -54.12 -60.84 2.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.248 -0.887 . . . . 0.24 110.195 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -69.06 -40.44 78.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.137 -0.938 . . . . 0.2 110.563 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -51.47 -38.23 52.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.543 0.687 . . . . 0.45 109.83 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.36 -23.91 17.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.8 -1.091 . . . . 1.18 112.453 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.456 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.9 m-20 -80.38 -46.63 15.71 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.418 -0.586 . . . . 0.2 109.418 178.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.66 -118.62 0.0 OUTLIER Glycine 0 C--N 1.333 0.366 0 CA-C-N 114.574 -1.193 . . . . 0.22 115.793 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.9 t -103.25 -2.06 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 114.911 1.449 . . . . 0.86 114.911 -175.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -126.01 17.0 7.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 119.313 0.96 . . . . 1.57 111.692 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.17 167.0 54.08 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.618 -0.801 . . . . 0.49 113.196 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -95.28 99.78 11.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.908 0.385 . . . . 2.19 110.397 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.488 ' CH2' HG12 ' B' ' 30' ' ' VAL . 7.6 m0 -99.25 120.72 40.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.65 112.24 -178.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.2 p -104.8 138.34 41.22 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.272 -0.64 . . . . 0.39 109.272 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -111.04 141.6 44.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.014 0.435 . . . . 0.47 112.036 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.46 81.99 1.96 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.687 -0.688 . . . . 1.24 110.327 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.89 -37.08 13.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 1.17 111.806 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.57 -30.58 8.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.446 -0.343 . . . . 0.56 111.908 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.1 p -128.09 14.21 6.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.717 -0.22 . . . . 0.63 111.508 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm 48.48 35.21 5.6 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.847 0.356 . . . . 2.35 110.375 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.791 HG23 ' O ' ' B' ' 4' ' ' LYS . 98.7 m -122.19 143.26 49.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.146 0.498 . . . . 0.36 112.023 -178.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.7 m-85 -108.77 142.45 39.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.442 -0.799 . . . . 0.55 109.654 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -120.84 101.99 8.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.259 0.552 . . . . 0.37 112.196 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.4 HG12 ' OD1' ' A' ' 37' ' ' ASN . 58.0 t -81.98 109.32 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.326 -0.852 . . . . 0.4 109.219 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.641 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 22.6 m -103.55 117.33 34.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.64 112.12 -178.243 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.279 -0.867 . . . . 2.34 110.931 179.654 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.422 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 27.8 ttt . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.835 0.35 . . . . 1.68 111.167 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.422 ' N ' ' HG2' ' B' ' 1' ' ' MET . 54.3 tt0 -104.98 140.24 38.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 1.79 110.365 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.401 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 6.5 m-85 -126.54 145.73 50.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.915 0.388 . . . . 0.43 110.98 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.791 ' O ' HG23 ' A' ' 51' ' ' THR . 62.3 tttp -102.01 108.16 19.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.016 -0.538 . . . . 2.35 110.319 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.704 ' HB ' HG23 ' B' ' 16' ' ' THR . 49.4 t -95.59 131.86 41.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.986 0.422 . . . . 0.31 111.157 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.415 HG13 ' CG2' ' A' ' 51' ' ' THR . 73.8 mt -107.68 118.57 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.35 110.859 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 15.5 mt -96.85 82.24 3.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.936 -0.575 . . . . 0.33 109.52 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.641 ' O ' ' HA ' ' A' ' 55' ' ' THR . 34.3 t-20 -94.12 109.55 21.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.485 -0.779 . . . . 2.09 112.362 -178.097 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.97 -166.96 13.65 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.724 . . . . 0.57 111.73 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -86.69 -58.16 2.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.065 0.459 . . . . 2.94 110.022 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.479 ' HB ' HG11 ' A' ' 29' ' ' VAL . 7.6 p -94.57 -5.4 45.97 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.679 -0.691 . . . . 0.23 110.716 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.996 HD13 ' HB ' ' A' ' 18' ' ' THR . 22.8 tp -135.67 136.28 40.8 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.099 0.476 . . . . 0.14 111.569 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.473 ' H ' HD12 ' B' ' 12' ' ' LEU . 36.6 mtmm -145.34 145.11 31.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.54 -0.754 . . . . 2.46 110.368 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -176.91 -172.34 41.42 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.101 -1.047 . . . . 0.15 113.362 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -142.03 138.71 31.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 1.92 110.456 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.79 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -139.79 168.76 19.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.18 111.272 -179.18 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.509 HG22 ' HA ' ' B' ' 4' ' ' LYS . 60.0 p -143.6 120.08 11.01 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.857 0.688 . . . . 0.16 112.857 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.991 ' HB ' HD13 ' A' ' 12' ' ' LEU . 15.3 t -108.95 147.14 32.7 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.803 -0.635 . . . . 0.15 109.479 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -108.71 119.17 38.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.521 0.201 . . . . 2.06 110.664 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.687 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -148.98 149.62 31.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.188 0.518 . . . . 0.26 111.939 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 t -50.47 -24.88 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.379 -0.828 . . . . 0.35 111.954 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.563 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -156.72 174.7 15.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.879 0.371 . . . . 1.3 111.438 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.401 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -59.39 -42.42 91.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.31 111.371 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.77 -54.99 30.68 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.943 -0.391 . . . . 0.35 109.943 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.871 ' O ' HG23 ' B' ' 29' ' ' VAL . 51.4 p -50.34 -46.25 55.58 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.973 -0.751 . . . . 0.35 108.973 178.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.764 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -58.49 -53.48 57.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.685 -0.689 . . . . 0.26 109.204 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -52.09 -45.0 64.66 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.966 -0.561 . . . . 1.96 110.427 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -66.08 -49.44 67.58 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.927 -0.579 . . . . 1.98 110.251 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.871 HG23 ' O ' ' B' ' 25' ' ' THR . 84.3 t -54.09 -41.85 52.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.078 0.466 . . . . 0.4 109.888 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.764 HG23 ' O ' ' B' ' 26' ' ' ALA . 57.9 t -63.03 -47.59 91.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.722 -0.672 . . . . 0.36 109.481 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -51.14 -43.15 61.14 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 116.26 -0.427 . . . . 2.12 110.496 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -61.15 -38.5 86.66 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.346 -0.613 . . . . 2.1 109.346 178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.846 ' CG ' HD23 ' A' ' 12' ' ' LEU . 37.8 t80 -54.16 -60.88 2.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.218 -0.901 . . . . 0.24 110.166 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -68.94 -40.51 78.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.231 -0.895 . . . . 0.2 110.595 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -51.54 -38.18 52.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.452 0.644 . . . . 0.45 109.818 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.4 -23.84 17.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.823 -1.08 . . . . 1.18 112.414 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.457 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.0 m-20 -80.49 -46.49 15.79 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.414 -0.588 . . . . 0.2 109.414 178.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.74 -118.56 0.0 OUTLIER Glycine 0 C--N 1.332 0.353 0 CA-C-N 114.622 -1.172 . . . . 0.22 115.786 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.602 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.9 t -103.25 -2.14 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 114.82 1.415 . . . . 0.86 114.82 -175.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -125.94 16.89 7.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 119.378 0.99 . . . . 1.57 111.685 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.16 167.04 54.11 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.577 -0.82 . . . . 0.49 113.145 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -95.34 99.83 11.7 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.939 0.399 . . . . 2.19 110.414 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.489 ' CH2' HG12 ' A' ' 30' ' ' VAL . 7.6 m0 -99.34 120.72 40.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.969 -0.559 . . . . 0.65 112.229 -178.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.0 p -104.81 138.44 41.07 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.271 -0.64 . . . . 0.39 109.271 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -111.12 141.66 44.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.037 0.446 . . . . 0.47 111.972 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.49 81.9 1.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.724 -0.671 . . . . 1.24 110.299 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.88 -37.03 13.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.225 -0.443 . . . . 1.17 111.842 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.6 -30.55 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.931 0.345 . . . . 0.56 111.931 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.5 p -128.13 14.28 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.741 -0.209 . . . . 0.63 111.48 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm 48.41 35.15 5.4 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.825 0.345 . . . . 2.35 110.422 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 4' ' ' LYS . 98.8 m -122.16 143.24 49.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.147 0.499 . . . . 0.36 111.986 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' B' ' 52' ' ' PHE . 1.7 m-85 -108.66 142.47 39.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.408 -0.815 . . . . 0.55 109.708 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -120.92 102.07 8.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.269 0.556 . . . . 0.37 112.159 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -82.02 109.35 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.23 -0.895 . . . . 0.4 109.179 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.642 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 22.6 m -103.61 117.34 34.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.437 . . . . 0.64 112.14 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.309 -0.853 . . . . 2.34 110.955 179.715 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.504 ' NE2' ' HB ' ' A' ' 17' ' ' THR . 32.6 tp60 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.745 0.307 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.452 ' CE2' ' CE ' ' B' ' 50' ' ' LYS . 51.4 m-85 -123.99 140.48 52.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.572 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.798 ' O ' HG23 ' B' ' 51' ' ' THR . 39.9 ttmt -105.4 112.28 25.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.819 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.632 ' HB ' HG23 ' A' ' 16' ' ' THR . 59.8 t -97.39 136.16 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.164 0.507 . . . . 0.0 110.462 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.436 HG13 ' CG2' ' B' ' 51' ' ' THR . 74.6 mt -109.91 125.34 67.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.751 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.452 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.1 mt -103.8 91.12 3.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.14 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.766 ' O ' ' HA ' ' B' ' 55' ' ' THR . 72.4 m-20 -98.63 106.56 18.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.297 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.437 ' HA2' ' HG3' ' B' ' 56' ' ' GLU . . . -112.1 -171.03 18.58 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.122 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -76.43 -56.08 4.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.991 0.424 . . . . 0.0 110.669 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.581 ' OG1' HG13 ' B' ' 29' ' ' VAL . 8.2 p -107.11 6.55 28.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.18 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.923 HD13 ' HB ' ' B' ' 18' ' ' THR . 24.9 tp -138.06 137.89 38.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.1 0.476 . . . . 0.0 111.28 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.474 ' H ' HD12 ' A' ' 12' ' ' LEU . 7.6 mtpm? -145.0 144.66 31.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.502 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.494 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -174.61 -177.03 43.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 119.984 -1.103 . . . . 0.0 113.266 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -137.94 139.12 39.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.819 0.342 . . . . 0.0 110.377 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.77 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -138.13 166.74 23.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.057 -179.592 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.504 ' HB ' ' NE2' ' A' ' 2' ' ' GLN . 63.8 p -143.8 122.65 12.7 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.941 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.4 t -106.9 140.77 39.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.23 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -99.77 108.93 21.36 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.767 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -143.46 148.58 36.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.24 0.543 . . . . 0.0 111.82 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.8 t -50.63 -26.11 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.02 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.628 ' OD1' HG23 ' A' ' 25' ' ' THR . 59.0 p30 -158.29 175.91 13.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.913 0.387 . . . . 0.0 111.392 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.401 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -57.54 -42.29 82.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.595 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.83 -55.02 34.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.833 ' O ' HG23 ' A' ' 29' ' ' VAL . 41.6 p -52.01 -46.02 64.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.626 ' HB1' ' CG2' ' A' ' 18' ' ' THR . . . -59.71 -55.9 28.59 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.4 ' CG ' ' NZ ' ' A' ' 31' ' ' LYS . 88.8 tt0 -47.93 -49.21 30.91 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.658 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -60.44 -43.64 96.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.519 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 25' ' ' THR . 79.0 t -54.55 -40.54 50.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.512 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.645 HG12 ' CH2' ' B' ' 43' ' ' TRP . 29.4 t -62.46 -46.88 95.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 12.9 mptt -49.11 -50.55 36.64 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.167 178.136 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.439 ' NE2' ' OD2' ' A' ' 36' ' ' ASP . 34.8 tp60 -63.81 -39.67 94.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.291 0.567 . . . . 0.0 109.493 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.89 ' CG ' HD23 ' B' ' 12' ' ' LEU . 52.9 t80 -54.0 -57.12 12.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.695 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.459 ' HB3' ' HA2' ' B' ' 38' ' ' GLY . 25.8 m-85 -75.49 -39.05 59.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.491 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -50.39 -37.94 40.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.411 0.624 . . . . 0.0 109.982 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.439 ' OD2' ' NE2' ' A' ' 32' ' ' GLN . 57.5 m-20 -94.4 -24.99 17.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.052 -0.977 . . . . 0.0 112.739 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 90.1 m-20 -78.61 -46.33 19.54 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -2.72 -120.06 0.0 OUTLIER Glycine 0 C--N 1.332 0.347 0 CA-C-N 114.566 -1.197 . . . . 0.0 115.775 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.6 t -82.66 -55.39 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 -175.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -95.28 28.89 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -177.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.32 145.4 47.43 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 119.995 -1.098 . . . . 0.0 112.287 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -75.03 95.99 3.12 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.54 0.21 . . . . 0.0 110.442 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.644 ' CH2' HG12 ' B' ' 30' ' ' VAL . 7.4 m0 -108.76 131.54 54.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.6 p -106.51 139.24 41.3 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 177.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -111.44 139.47 46.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.004 0.431 . . . . 0.0 111.869 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -123.64 82.02 1.97 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.194 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.31 -36.33 20.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.39 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.82 -31.79 50.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.629 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.4 p -116.53 9.18 14.16 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.45 ' CE ' ' CE2' ' B' ' 3' ' ' TYR . 10.2 mmmm 48.96 36.69 8.81 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.677 0.275 . . . . 0.0 110.645 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.797 HG23 ' O ' ' B' ' 4' ' ' LYS . 95.7 m -133.28 145.67 50.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.207 0.527 . . . . 0.0 111.811 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.2 m-85 -110.05 145.27 37.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.295 178.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -122.39 101.83 7.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.241 0.543 . . . . 0.0 111.821 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.466 HG22 ' CD2' ' A' ' 43' ' ' TRP . 73.4 t -82.98 116.51 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.927 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.755 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 5.8 m -112.57 121.69 45.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.947 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' HG3' ' HA2' ' B' ' 9' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.838 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.503 ' HE3' ' CZ ' ' B' ' 3' ' ' TYR . 35.7 ttp . . . . . 0 N--CA 1.484 1.26 0 CA-C-O 120.785 0.326 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.507 ' NE2' ' HB ' ' B' ' 17' ' ' THR . 32.5 tp60 -96.9 131.22 43.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.156 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.503 ' CZ ' ' HE3' ' B' ' 1' ' ' MET . 51.2 m-85 -123.99 140.57 52.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.491 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.797 ' O ' HG23 ' A' ' 51' ' ' THR . 40.0 ttmt -105.42 112.11 25.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.759 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.628 ' HB ' HG23 ' B' ' 16' ' ' THR . 59.9 t -97.3 136.19 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.071 0.462 . . . . 0.0 110.527 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.433 HG13 ' CG2' ' A' ' 51' ' ' THR . 75.0 mt -109.91 125.36 67.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.703 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 8.9 mt -103.82 91.14 3.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.183 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.755 ' O ' ' HA ' ' A' ' 55' ' ' THR . 72.4 m-20 -98.73 106.65 18.94 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.285 -178.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.425 ' HA2' ' HG3' ' A' ' 56' ' ' GLU . . . -112.24 -171.0 18.48 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.302 -0.952 . . . . 0.0 112.145 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -76.4 -56.19 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.018 0.437 . . . . 0.0 110.551 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.588 ' OG1' HG13 ' A' ' 29' ' ' VAL . 8.1 p -107.09 6.64 29.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.265 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.941 HD13 ' HB ' ' A' ' 18' ' ' THR . 24.8 tp -138.11 137.85 38.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.998 0.427 . . . . 0.0 111.261 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.473 ' H ' HD12 ' B' ' 12' ' ' LEU . 7.6 mtpm? -144.9 144.7 31.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.456 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -174.6 -176.92 43.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.304 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -138.02 139.16 39.47 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.883 0.373 . . . . 0.0 110.339 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.765 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -138.24 166.77 23.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.079 -179.653 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.507 ' HB ' ' NE2' ' B' ' 2' ' ' GLN . 64.0 p -143.76 122.64 12.72 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.923 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.5 t -106.84 140.85 39.01 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.324 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -99.75 108.94 21.39 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.761 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -143.44 148.68 36.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.138 0.494 . . . . 0.0 111.823 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 t -50.8 -26.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.921 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.635 ' OD1' HG23 ' B' ' 25' ' ' THR . 58.7 p30 -158.29 175.81 13.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.883 0.373 . . . . 0.0 111.376 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.45 -42.3 82.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.628 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.76 -55.2 32.67 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.829 ' O ' HG23 ' B' ' 29' ' ' VAL . 41.4 p -51.93 -46.0 64.51 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.628 ' HB1' ' CG2' ' B' ' 18' ' ' THR . . . -59.65 -56.01 27.3 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.408 ' CG ' ' HZ2' ' B' ' 31' ' ' LYS . 88.7 tt0 -47.87 -49.19 30.31 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.735 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -60.53 -43.56 97.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.57 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.829 HG23 ' O ' ' B' ' 25' ' ' THR . 79.6 t -54.58 -40.5 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.633 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.644 HG12 ' CH2' ' A' ' 43' ' ' TRP . 29.0 t -62.32 -47.11 94.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.564 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.408 ' HZ2' ' CG ' ' B' ' 27' ' ' GLU . 12.9 mptt -48.86 -50.58 34.08 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.318 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.436 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 34.8 tp60 -63.89 -39.65 94.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.291 0.567 . . . . 0.0 109.499 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.89 ' CG ' HD23 ' A' ' 12' ' ' LEU . 52.4 t80 -54.01 -57.03 12.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.74 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.46 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 25.8 m-85 -75.68 -38.94 58.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.448 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -50.43 -38.03 41.16 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.384 0.611 . . . . 0.0 109.898 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.436 ' OD2' ' NE2' ' B' ' 32' ' ' GLN . 57.2 m-20 -94.37 -24.93 17.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.788 -179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 90.0 m-20 -78.65 -46.43 19.2 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -2.65 -120.06 0.0 OUTLIER Glycine 0 C--N 1.333 0.385 0 CA-C-N 114.688 -1.142 . . . . 0.0 115.778 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.65 -55.38 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 -175.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -95.3 28.84 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -177.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.37 145.42 47.39 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 119.895 -1.145 . . . . 0.0 112.376 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -74.99 95.93 3.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.74 0.305 . . . . 0.0 110.434 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.645 ' CH2' HG12 ' A' ' 30' ' ' VAL . 7.4 m0 -108.73 131.5 54.88 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.5 p -106.43 139.25 41.2 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -111.52 139.47 46.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.998 0.428 . . . . 0.0 111.851 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -123.63 81.89 1.95 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.246 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.12 -36.46 19.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.879 0.371 . . . . 0.0 111.336 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.65 -31.87 49.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.674 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 63.5 p -116.46 9.01 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.452 ' CE ' ' CE2' ' A' ' 3' ' ' TYR . 10.2 mmmm 48.92 36.85 8.97 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.829 0.347 . . . . 0.0 110.685 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 4' ' ' LYS . 95.6 m -133.36 145.62 50.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.124 0.488 . . . . 0.0 111.856 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' B' ' 52' ' ' PHE . 1.3 m-85 -110.07 145.31 37.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.266 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -122.35 101.86 7.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.236 0.541 . . . . 0.0 111.87 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.465 HG22 ' CD2' ' B' ' 43' ' ' TRP . 69.5 t -82.82 116.41 26.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.015 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.766 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 5.7 m -112.51 121.66 45.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.84 0.352 . . . . 0.0 111.011 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.437 ' HG3' ' HA2' ' A' ' 9' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.856 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.786 0.327 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.455 ' CE2' ' HE2' ' B' ' 50' ' ' LYS . 8.0 m-85 -115.36 145.9 42.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.01 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.786 ' O ' HG23 ' B' ' 51' ' ' THR . 87.1 tttt -98.63 107.86 20.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.788 ' HB ' HG23 ' A' ' 16' ' ' THR . 59.4 t -97.65 120.42 46.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' B' ' 53' ' ' THR . 65.3 mt -101.5 117.02 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.81 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.462 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.5 mt -97.72 87.2 3.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.624 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.5 t-20 -98.08 107.49 19.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.125 -177.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.4 -167.8 14.86 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.441 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.443 ' N ' ' HE2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -77.89 -57.05 4.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.891 0.376 . . . . 0.0 110.822 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.523 ' OG1' HG13 ' B' ' 29' ' ' VAL . 7.1 p -106.01 5.55 30.45 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.248 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.988 HD13 ' HB ' ' B' ' 18' ' ' THR . 23.9 tp -136.86 136.99 39.22 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.112 0.482 . . . . 0.0 111.443 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.482 ' H ' HD12 ' A' ' 12' ' ' LEU . 1.8 mppt? -144.45 144.68 31.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.095 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.508 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -176.12 -172.42 40.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.053 -1.07 . . . . 0.0 113.416 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -142.84 134.91 27.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.941 0.401 . . . . 0.0 110.606 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.788 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -136.28 167.67 20.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.142 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.499 ' O ' HD12 ' B' ' 12' ' ' LEU . 61.8 p -143.44 122.27 12.69 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.988 ' HB ' HD13 ' B' ' 12' ' ' LEU . 14.1 t -110.52 147.4 34.21 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.782 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -109.22 120.7 43.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.603 0.239 . . . . 0.0 110.575 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.662 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -149.07 150.29 32.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.161 0.505 . . . . 0.0 111.992 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 t -51.07 -27.11 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.811 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.501 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -154.82 176.28 12.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 111.355 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.408 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -60.23 -43.14 96.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.494 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.61 -56.36 20.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.881 ' O ' HG23 ' A' ' 29' ' ' VAL . 56.0 p -50.15 -46.01 53.7 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.45 -53.72 54.87 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 177.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.436 ' OE1' ' CE3' ' B' ' 43' ' ' TRP . 4.8 tp10 -49.91 -47.83 51.99 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.483 178.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -62.84 -45.03 94.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.278 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 25' ' ' THR . 87.3 t -55.33 -42.43 66.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.262 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.618 HG12 ' CH2' ' B' ' 43' ' ' TRP . 60.8 t -64.68 -48.36 85.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 57.6 mttp -53.38 -44.15 68.4 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.676 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -62.21 -39.1 91.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.47 0.652 . . . . 0.0 109.281 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.915 ' CG ' HD23 ' B' ' 12' ' ' LEU . 56.6 t80 -52.74 -63.31 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.007 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -66.88 -38.12 85.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.625 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.459 ' ND2' HG21 ' B' ' 39' ' ' VAL . 27.4 t-20 -52.41 -38.4 58.96 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.443 0.639 . . . . 0.0 109.919 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.95 -23.75 17.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.175 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.501 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.5 m-20 -81.59 -46.47 14.37 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.254 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.55 -113.97 0.0 OUTLIER Glycine 0 CA--C 1.521 0.466 0 CA-C-N 115.011 -0.995 . . . . 0.0 115.358 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.652 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.5 t -111.09 5.27 8.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -176.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -125.38 10.93 8.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.664 -0.648 . . . . 0.0 112.089 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.51 170.61 53.53 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.577 -0.821 . . . . 0.0 113.425 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -97.65 104.26 16.27 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.616 ' CH2' HG12 ' B' ' 30' ' ' VAL . 9.4 m0 -102.62 123.79 46.99 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.8 p -108.58 138.03 45.56 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 18.3 t80 -114.09 144.55 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.078 0.466 . . . . 0.0 111.973 -178.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.71 83.62 2.16 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.198 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.3 -36.61 21.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.629 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.95 -29.26 8.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.838 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.1 p -128.16 12.05 6.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.611 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HE2' ' CE2' ' B' ' 3' ' ' TYR . 14.2 mmmm 49.31 33.05 4.87 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.843 0.354 . . . . 0.0 110.215 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.788 HG23 ' O ' ' B' ' 4' ' ' LYS . 94.2 m -117.8 144.14 45.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.381 -178.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.508 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.1 m-85 -115.65 141.85 47.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.407 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -118.84 123.64 45.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.108 0.48 . . . . 0.0 111.181 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.9 t -102.77 107.15 21.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.897 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.623 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 17.0 m -99.68 113.19 25.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.932 0.396 . . . . 0.0 111.446 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.828 -179.864 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' B' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.649 0.261 . . . . 0.0 110.4 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.402 ' O ' ' SD ' ' B' ' 1' ' ' MET . 8.3 tt0 -101.27 132.71 46.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.539 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.459 ' CE2' ' HE2' ' A' ' 50' ' ' LYS . 8.2 m-85 -115.45 145.93 42.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.97 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.788 ' O ' HG23 ' A' ' 51' ' ' THR . 87.1 tttt -98.62 107.9 20.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.795 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.793 ' HB ' HG23 ' B' ' 16' ' ' THR . 59.7 t -97.7 120.41 46.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.052 0.453 . . . . 0.0 110.757 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 53' ' ' THR . 65.7 mt -101.34 116.97 45.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.884 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mt -97.74 87.25 3.99 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.623 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.4 t-20 -97.99 107.48 19.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.203 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.39 -167.8 14.87 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.371 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.442 ' N ' ' HE2' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -77.9 -57.05 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.855 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.521 ' OG1' HG13 ' A' ' 29' ' ' VAL . 7.0 p -105.95 5.39 30.44 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.199 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.988 HD13 ' HB ' ' A' ' 18' ' ' THR . 23.9 tp -136.9 136.94 39.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.181 0.515 . . . . 0.0 111.485 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.484 ' H ' HD12 ' B' ' 12' ' ' LEU . 1.9 mppt? -144.35 144.66 31.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.094 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -176.1 -172.31 40.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 119.99 -1.1 . . . . 0.0 113.349 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -142.85 134.91 27.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.653 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.793 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -136.35 167.66 20.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.12 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.504 ' O ' HD12 ' A' ' 12' ' ' LEU . 60.7 p -143.46 122.4 12.77 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.988 ' HB ' HD13 ' A' ' 12' ' ' LEU . 14.0 t -110.49 147.45 34.07 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.819 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -109.25 120.67 43.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.607 0.242 . . . . 0.0 110.582 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.662 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -148.98 150.41 32.81 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.215 0.531 . . . . 0.0 111.979 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 t -51.1 -27.06 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.863 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.499 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -154.88 176.34 12.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 111.361 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.41 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.35 -43.06 96.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.433 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -56.36 20.58 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.879 ' O ' HG23 ' B' ' 29' ' ' VAL . 56.5 p -50.23 -45.91 54.34 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -59.59 -53.67 55.4 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.438 ' OE1' ' CE3' ' A' ' 43' ' ' TRP . 4.8 tp10 -49.9 -47.95 51.87 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.488 178.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -62.59 -45.25 93.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.196 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.879 HG23 ' O ' ' B' ' 25' ' ' THR . 87.7 t -55.23 -42.4 65.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.313 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.616 HG12 ' CH2' ' A' ' 43' ' ' TRP . 60.7 t -64.69 -48.44 84.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.302 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 57.5 mttp -53.41 -44.18 68.52 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.619 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -62.2 -39.17 91.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.916 ' CG ' HD23 ' A' ' 12' ' ' LEU . 56.4 t80 -52.66 -63.29 1.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.139 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -66.82 -38.03 85.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.719 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.46 ' ND2' HG21 ' A' ' 39' ' ' VAL . 27.5 t-20 -52.56 -38.38 59.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.415 0.626 . . . . 0.0 109.91 178.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.9 -23.73 17.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.241 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.5 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.6 m-20 -81.51 -46.49 14.43 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.961 0.41 . . . . 0.0 110.299 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.67 -113.78 0.0 OUTLIER Glycine 0 CA--C 1.521 0.454 0 CA-C-N 115.03 -0.986 . . . . 0.0 115.34 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.64 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.5 t -111.15 5.15 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -176.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -125.3 10.85 8.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.681 -0.637 . . . . 0.0 112.037 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.27 170.51 53.64 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.486 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -97.61 104.27 16.28 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.618 ' CH2' HG12 ' A' ' 30' ' ' VAL . 9.4 m0 -102.77 123.88 47.27 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.756 0.651 . . . . 0.0 112.756 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 75.3 p -108.58 137.91 45.76 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 18.5 t80 -113.96 144.51 42.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.039 0.447 . . . . 0.0 112.117 -178.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.68 83.71 2.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.212 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.4 -36.69 22.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.497 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.89 -29.29 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.908 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 82.5 p -128.16 12.14 6.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.568 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.455 ' HE2' ' CE2' ' A' ' 3' ' ' TYR . 14.2 mmmm 49.25 33.12 4.83 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.852 0.358 . . . . 0.0 110.274 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.786 HG23 ' O ' ' A' ' 4' ' ' LYS . 94.6 m -117.89 144.16 45.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.3 -178.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.507 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 2.1 m-85 -115.59 141.83 47.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.465 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -118.68 123.63 45.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.06 0.457 . . . . 0.0 111.188 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.5 t -102.73 107.06 21.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.963 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.624 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 17.1 m -99.58 113.21 25.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.922 0.391 . . . . 0.0 111.402 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.914 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.754 0.311 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.434 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 5.5 m-85 -125.5 146.07 49.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.51 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.795 ' O ' HG23 ' B' ' 51' ' ' THR . 48.2 tttm -106.85 108.23 19.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.391 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.883 HG21 HG21 ' A' ' 30' ' ' VAL . 57.9 t -94.66 116.78 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.423 0.63 . . . . 0.0 111.197 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.817 HG22 ' OD1' ' A' ' 8' ' ' ASN . 87.9 mt -94.88 131.78 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.809 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.414 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.8 mt -112.43 105.87 14.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.728 -179.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.817 ' OD1' HG22 ' A' ' 6' ' ' ILE . 5.4 m120 -110.98 109.95 20.3 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.402 ' HA2' ' CB ' ' B' ' 56' ' ' GLU . . . -115.43 -168.27 15.45 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.414 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -76.36 -55.72 5.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.914 0.388 . . . . 0.0 110.763 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.615 ' OG1' HG13 ' B' ' 29' ' ' VAL . 7.0 p -108.32 7.44 27.21 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.27 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.976 HD13 ' HB ' ' B' ' 18' ' ' THR . 27.4 tp -139.05 138.07 36.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.158 0.504 . . . . 0.0 111.617 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.461 ' H ' HD12 ' A' ' 12' ' ' LEU . 7.2 mptt -144.86 145.98 31.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.248 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.58 -167.68 37.73 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.213 -0.994 . . . . 0.0 112.91 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.439 ' HB3' ' NZ ' ' A' ' 4' ' ' LYS . 38.7 mt-10 -150.33 146.4 26.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.931 0.396 . . . . 0.0 110.593 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.672 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -141.99 169.89 16.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.964 -179.02 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.468 ' O ' HD12 ' B' ' 12' ' ' LEU . 47.0 p -141.66 119.91 12.22 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -178.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.99 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.5 t -106.9 142.68 36.15 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.998 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -102.05 112.22 24.79 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.625 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -146.02 149.97 35.13 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.427 0.632 . . . . 0.0 112.023 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.99 -27.23 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.125 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.523 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -155.26 176.91 11.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.856 0.36 . . . . 0.0 111.586 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.434 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -60.95 -42.96 99.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.314 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.91 -54.58 40.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.86 ' O ' HG23 ' A' ' 29' ' ' VAL . 60.8 p -52.22 -45.98 65.48 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.479 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.91 -54.85 41.27 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' OE2' ' HG3' ' A' ' 31' ' ' LYS . 3.7 tm-20 -48.29 -49.34 34.15 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.472 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.45 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 4.3 mmmp? -62.31 -43.57 98.52 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.2 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 25' ' ' THR . 88.5 t -55.51 -39.59 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.134 0.492 . . . . 0.0 109.855 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.883 HG21 HG21 ' A' ' 5' ' ' VAL . 61.0 t -65.89 -49.14 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.436 178.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HG3' ' OE2' ' A' ' 27' ' ' GLU . 86.0 mttt -52.37 -43.88 64.94 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.805 178.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -63.82 -38.61 91.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.91 ' CG ' HD23 ' B' ' 12' ' ' LEU . 49.7 t80 -53.56 -61.27 2.41 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.158 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -68.52 -39.35 81.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.96 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.459 ' ND2' HG21 ' B' ' 39' ' ' VAL . 25.7 t-20 -50.86 -38.81 51.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.383 0.611 . . . . 0.0 110.098 178.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -94.49 -23.53 17.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.021 -0.99 . . . . 0.0 112.44 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.471 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.5 m-20 -79.72 -46.28 17.36 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.561 -0.456 . . . . 0.0 109.808 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.06 -116.32 0.0 OUTLIER Glycine 0 C--N 1.333 0.383 0 CA-C-N 114.924 -1.034 . . . . 0.0 115.455 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.7 t -109.56 3.77 9.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -176.249 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.7 12.68 7.98 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.605 0.639 . . . . 0.0 111.955 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.12 169.5 54.03 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.57 -0.824 . . . . 0.0 113.334 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -93.36 99.59 12.08 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.834 0.35 . . . . 0.0 110.198 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.585 ' CH2' HG12 ' B' ' 30' ' ' VAL . 11.9 m0 -99.67 121.33 41.07 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -178.102 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.8 p -110.13 137.68 47.54 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.503 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 7.6 t80 -112.64 144.17 42.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 111.727 -178.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.621 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.5 t0 -123.53 83.21 2.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.653 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 15.8 m-20 -46.8 -35.07 5.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.581 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.621 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.94 -31.92 13.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.1 p -128.15 14.5 6.75 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm 48.56 36.29 7.29 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.623 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.794 HG23 ' O ' ' B' ' 4' ' ' LYS . 94.5 m -124.05 140.57 52.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.406 -178.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 28.0 m-85 -108.23 142.09 39.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.536 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -117.22 122.98 45.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.139 0.495 . . . . 0.0 111.338 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.444 HG12 ' OD1' ' A' ' 37' ' ' ASN . 59.9 t -99.33 94.81 3.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.618 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 9.6 m -85.75 108.31 18.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.082 0.468 . . . . 0.0 111.581 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.4 ' CB ' ' HA2' ' B' ' 9' ' ' GLY . 5.2 tp10 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.232 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttp . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.752 0.311 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -101.87 141.01 35.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.391 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.426 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 5.2 m-85 -125.61 146.13 49.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.539 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.794 ' O ' HG23 ' A' ' 51' ' ' THR . 48.2 tttm -106.94 108.17 19.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.305 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.866 HG21 HG21 ' B' ' 30' ' ' VAL . 57.6 t -94.62 116.93 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.335 0.588 . . . . 0.0 111.261 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.81 HG22 ' OD1' ' B' ' 8' ' ' ASN . 87.6 mt -95.05 131.8 40.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.756 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.9 mt -112.42 105.78 14.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.733 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.81 ' OD1' HG22 ' B' ' 6' ' ' ILE . 5.4 m120 -110.99 109.87 20.19 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.4 ' HA2' ' CB ' ' A' ' 56' ' ' GLU . . . -115.37 -168.22 15.46 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.489 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -76.36 -55.78 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 0.0 110.691 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.61 ' OG1' HG13 ' A' ' 29' ' ' VAL . 7.2 p -108.23 7.31 27.33 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.291 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.99 HD13 ' HB ' ' A' ' 18' ' ' THR . 27.5 tp -138.94 138.19 37.11 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.111 0.481 . . . . 0.0 111.719 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.461 ' H ' HD12 ' B' ' 12' ' ' LEU . 7.2 mptt -144.96 145.79 31.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.25 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.48 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.64 -167.64 37.64 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.298 -0.954 . . . . 0.0 112.965 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.435 ' HB3' ' NZ ' ' B' ' 4' ' ' LYS . 38.9 mt-10 -150.33 146.47 26.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.969 0.414 . . . . 0.0 110.568 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.665 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -142.07 169.85 16.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.005 -178.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.471 ' O ' HD12 ' A' ' 12' ' ' LEU . 48.9 p -141.63 119.97 12.28 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.976 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.5 t -106.93 142.55 36.37 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.06 178.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -101.96 112.34 24.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.625 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -145.95 149.99 35.23 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 121.259 0.552 . . . . 0.0 112.061 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -51.07 -27.1 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.111 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.522 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -155.38 176.87 12.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.885 0.374 . . . . 0.0 111.481 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.426 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.88 -42.91 98.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.379 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.96 -54.68 38.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.862 ' O ' HG23 ' B' ' 29' ' ' VAL . 61.8 p -52.22 -45.88 65.44 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.473 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.06 -54.75 42.24 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.434 ' OE2' ' HG3' ' B' ' 31' ' ' LYS . 3.7 tm-20 -48.31 -49.34 34.37 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.427 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.452 ' NZ ' ' HB3' ' B' ' 28' ' ' LYS . 4.2 mmmp? -62.33 -43.66 98.31 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.122 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.862 HG23 ' O ' ' B' ' 25' ' ' THR . 87.4 t -55.49 -39.59 54.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.117 0.484 . . . . 0.0 109.844 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.866 HG21 HG21 ' B' ' 5' ' ' VAL . 59.3 t -65.77 -49.26 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.475 178.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.434 ' HG3' ' OE2' ' B' ' 27' ' ' GLU . 86.0 mttt -52.23 -44.03 64.62 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.745 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -63.79 -38.55 91.51 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.908 ' CG ' HD23 ' A' ' 12' ' ' LEU . 50.1 t80 -53.57 -61.19 2.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.188 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -68.7 -39.25 80.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.946 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.464 ' ND2' HG21 ' A' ' 39' ' ' VAL . 25.7 t-20 -50.81 -39.0 51.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.313 0.578 . . . . 0.0 110.058 178.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -94.28 -23.56 17.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.435 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.473 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.5 m-20 -79.77 -46.26 17.32 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.13 -116.3 0.0 OUTLIER Glycine 0 CA--C 1.52 0.392 0 CA-C-N 114.926 -1.034 . . . . 0.0 115.457 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.627 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.7 t -109.49 3.58 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -176.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.5 12.61 8.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 118.54 0.609 . . . . 0.0 111.95 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.1 169.39 53.99 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.323 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -93.34 99.44 11.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.111 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.584 ' CH2' HG12 ' A' ' 30' ' ' VAL . 11.9 m0 -99.48 121.35 41.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.444 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 68.0 p -110.05 137.72 47.43 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 7.5 t80 -112.74 144.16 42.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.969 0.414 . . . . 0.0 111.67 -178.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.622 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.5 t0 -123.48 83.27 2.11 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.627 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.433 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 15.7 m-20 -46.71 -35.14 5.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.564 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.622 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.96 -31.86 13.58 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.9 p -128.11 14.44 6.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm 48.5 36.36 7.27 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 110.592 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.795 HG23 ' O ' ' A' ' 4' ' ' LYS . 93.7 m -124.02 140.48 52.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.517 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.499 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 27.8 m-85 -108.22 142.08 39.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.509 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -117.16 123.15 46.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.107 0.48 . . . . 0.0 111.314 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.446 HG12 ' OD1' ' B' ' 37' ' ' ASN . 59.9 t -99.46 94.81 3.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.575 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.542 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 9.5 m -85.74 108.23 17.97 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.592 -178.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.402 ' CB ' ' HA2' ' A' ' 9' ' ' GLY . 5.2 tp10 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.226 -0.893 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.962 0.41 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.459 ' CE2' ' HE3' ' B' ' 50' ' ' LYS . 7.2 m-85 -130.95 149.56 52.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.67 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.767 ' O ' HG23 ' B' ' 51' ' ' THR . 17.5 tppt? -98.83 108.52 21.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.652 ' HB ' HG23 ' A' ' 16' ' ' THR . 60.9 t -96.15 128.03 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.905 0.384 . . . . 0.0 110.383 179.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.485 ' CD1' HG21 ' B' ' 51' ' ' THR . 71.8 mt -108.69 127.66 65.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.328 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.415 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.5 mt -107.44 95.55 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.284 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.764 ' O ' ' HA ' ' B' ' 55' ' ' THR . 69.6 m-20 -103.24 107.95 18.97 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.194 -179.038 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.82 -169.54 16.89 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.281 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -78.01 -57.4 3.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.038 0.447 . . . . 0.0 110.573 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.472 ' OG1' HG13 ' B' ' 29' ' ' VAL . 4.0 p -104.53 4.33 32.89 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.198 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.963 HD13 ' HB ' ' B' ' 18' ' ' THR . 24.0 tp -137.22 137.14 38.79 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.992 0.425 . . . . 0.0 111.199 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.455 ' H ' HD12 ' A' ' 12' ' ' LEU . 35.8 mtmm -145.19 146.0 31.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.455 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.51 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.87 -169.06 39.75 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.075 -1.059 . . . . 0.0 113.21 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -143.52 153.37 42.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 0.0 110.739 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.747 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -150.95 168.79 23.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.034 -179.601 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.481 ' O ' HD12 ' B' ' 12' ' ' LEU . 74.5 p -143.26 121.19 12.02 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -178.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.972 ' HB ' HD13 ' B' ' 12' ' ' LEU . 14.2 t -107.79 142.65 37.5 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.94 178.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -103.18 115.75 31.18 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.7 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -148.84 151.27 34.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.261 0.553 . . . . 0.0 111.93 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.1 t -50.63 -25.44 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.946 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.659 ' OD1' HG23 ' A' ' 25' ' ' THR . 57.5 p30 -158.71 175.68 13.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.791 0.329 . . . . 0.0 111.505 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.36 -43.0 83.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.754 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.04 -56.13 22.16 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.883 ' O ' HG23 ' A' ' 29' ' ' VAL . 50.2 p -51.07 -45.77 61.52 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.9 -52.74 64.11 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.494 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 44.7 tt0 -52.78 -49.24 65.96 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.785 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -59.43 -43.0 93.19 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.693 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 25' ' ' THR . 98.2 t -56.37 -38.86 57.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.112 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.656 HG12 ' CH2' ' B' ' 43' ' ' TRP . 38.5 t -65.17 -48.44 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.693 179.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.494 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 1.1 mptm? -50.16 -44.79 52.86 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.746 0.308 . . . . 0.0 110.401 178.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -66.44 -39.38 88.85 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.913 ' CG ' HD23 ' B' ' 12' ' ' LEU . 66.3 t80 -53.45 -59.59 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.482 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.439 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 28.8 m-85 -71.23 -39.17 71.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.225 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -51.0 -38.54 51.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.432 0.634 . . . . 0.0 109.799 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.31 -25.7 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.815 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.499 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.6 m-20 -78.74 -45.56 20.89 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -3.67 -117.18 0.0 OUTLIER Glycine 0 CA--C 1.521 0.409 0 CA-C-N 114.575 -1.193 . . . . 0.0 115.719 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.1 t -83.77 -55.51 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 -175.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -91.55 27.24 2.05 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -177.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.69 144.08 46.4 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 119.997 -1.097 . . . . 0.0 112.325 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -73.7 91.74 1.92 Allowed 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.704 ' CD1' HG13 ' A' ' 54' ' ' VAL . 11.8 m0 -106.12 132.21 52.46 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.436 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 70.4 p -112.56 141.97 45.69 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.436 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 6.1 t80 -111.1 142.0 43.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.987 0.422 . . . . 0.0 111.544 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.475 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.3 t0 -123.32 83.21 2.1 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.608 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.42 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 14.0 m-20 -48.22 -37.14 15.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.352 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.475 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.49 -32.26 17.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.952 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.3 p -122.7 12.41 9.89 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HE3' ' HE2' ' B' ' 1' ' ' MET . 7.2 mmmm 49.76 34.94 8.13 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.707 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.763 HG23 ' O ' ' B' ' 4' ' ' LYS . 94.9 m -125.73 144.11 50.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.111 0.482 . . . . 0.0 111.953 -178.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.9 m-85 -110.37 144.52 39.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.502 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.436 ' HG1' ' HG1' ' A' ' 44' ' ' THR . 2.9 p -122.14 124.45 43.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.343 0.592 . . . . 0.0 111.871 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.704 HG13 ' CD1' ' A' ' 43' ' ' TRP . 61.5 t -104.59 113.05 40.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.72 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.755 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 3.2 m -108.61 119.39 39.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.097 0.475 . . . . 0.0 111.512 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.994 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.47 ' HE2' ' HE3' ' A' ' 50' ' ' LYS . 18.1 ttt . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 120.649 0.261 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -111.97 148.71 33.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.984 0.421 . . . . 0.0 111.251 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.465 ' CE2' ' HE3' ' A' ' 50' ' ' LYS . 7.0 m-85 -131.03 149.67 52.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.723 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.763 ' O ' HG23 ' A' ' 51' ' ' THR . 17.5 tppt? -99.0 108.59 21.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.662 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.3 t -96.31 128.07 47.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.987 0.423 . . . . 0.0 110.257 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.485 ' CD1' HG21 ' A' ' 51' ' ' THR . 72.0 mt -108.8 127.64 65.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.264 -179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.5 mt -107.46 95.47 5.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.254 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.755 ' O ' ' HA ' ' A' ' 55' ' ' THR . 69.3 m-20 -103.17 107.98 19.0 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.201 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.86 -169.5 16.85 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.335 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -78.07 -57.35 3.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.966 0.412 . . . . 0.0 110.582 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.477 ' OG1' HG13 ' A' ' 29' ' ' VAL . 4.0 p -104.58 4.37 32.79 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.242 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.972 HD13 ' HB ' ' A' ' 18' ' ' THR . 24.0 tp -137.28 137.16 38.7 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.126 0.489 . . . . 0.0 111.17 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.458 ' H ' HD12 ' B' ' 12' ' ' LEU . 35.8 mtmm -145.2 145.92 31.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.49 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.78 -169.04 39.77 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.082 -1.056 . . . . 0.0 113.26 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -143.56 153.3 42.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.606 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.746 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -150.88 168.87 23.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.126 -179.69 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.475 ' O ' HD12 ' A' ' 12' ' ' LEU . 75.6 p -143.35 121.14 11.92 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -178.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.963 ' HB ' HD13 ' A' ' 12' ' ' LEU . 14.3 t -107.8 142.64 37.52 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.879 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -103.17 115.79 31.25 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.697 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -148.85 151.19 34.3 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.177 0.513 . . . . 0.0 112.028 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 30.8 t -50.59 -25.52 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.996 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.658 ' OD1' HG23 ' B' ' 25' ' ' THR . 57.6 p30 -158.64 175.7 13.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.815 0.34 . . . . 0.0 111.481 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.34 -42.9 82.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.823 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 -56.09 22.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.883 ' O ' HG23 ' B' ' 29' ' ' VAL . 51.1 p -50.96 -45.95 60.95 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.582 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.74 -52.82 63.84 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.065 -0.716 . . . . 0.0 109.065 178.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.498 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 44.7 tt0 -52.64 -49.34 65.37 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.783 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -59.53 -42.92 93.4 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.883 HG23 ' O ' ' B' ' 25' ' ' THR . 98.0 t -56.42 -38.87 57.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.138 179.164 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.655 HG12 ' CH2' ' A' ' 43' ' ' TRP . 38.4 t -65.2 -48.35 83.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.688 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.498 ' HD3' ' O ' ' B' ' 27' ' ' GLU . 1.1 mptm? -50.19 -44.8 53.16 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.844 0.354 . . . . 0.0 110.445 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -66.45 -39.3 88.79 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.902 ' CG ' HD23 ' A' ' 12' ' ' LEU . 66.1 t80 -53.49 -59.56 4.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.501 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.44 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 28.7 m-85 -71.3 -39.11 71.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.207 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -50.89 -38.61 50.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.387 0.613 . . . . 0.0 109.896 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.28 -25.67 16.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.825 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' B' ' 38' ' ' GLY . 21.1 m120 -78.87 -45.26 21.06 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -3.78 -117.27 0.0 OUTLIER Glycine 0 C--N 1.333 0.404 0 CA-C-N 114.624 -1.171 . . . . 0.0 115.746 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 88.2 t -83.57 -55.6 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 -175.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -91.62 27.22 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.54 144.11 46.68 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.032 -1.08 . . . . 0.0 112.374 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -73.86 91.68 1.99 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.702 ' CD1' HG13 ' B' ' 54' ' ' VAL . 11.9 m0 -106.06 132.21 52.42 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.469 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 72.2 p -112.53 141.85 45.8 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.433 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 6.1 t80 -110.89 142.01 43.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 111.661 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.476 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.3 t0 -123.36 83.18 2.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.661 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.423 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 14.2 m-20 -48.3 -37.02 15.37 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.3 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.476 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.58 -32.22 18.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.008 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.5 p -122.68 12.44 9.91 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.459 ' HE3' ' CE2' ' A' ' 3' ' ' TYR . 7.2 mmmm 49.87 34.86 8.32 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.744 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.767 HG23 ' O ' ' A' ' 4' ' ' LYS . 94.2 m -125.69 143.94 50.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.119 0.485 . . . . 0.0 111.927 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' B' ' 52' ' ' PHE . 1.9 m-85 -110.26 144.44 38.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.638 178.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.469 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 2.9 p -122.11 124.58 44.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.358 0.599 . . . . 0.0 111.723 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.702 HG13 ' CD1' ' B' ' 43' ' ' TRP . 61.1 t -104.6 113.2 40.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.666 178.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.764 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 3.2 m -108.67 119.39 39.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.033 0.444 . . . . 0.0 111.52 -178.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.025 -179.844 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -124.51 146.38 49.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.127 0.489 . . . . 0.0 111.735 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.627 ' O ' HG23 ' B' ' 51' ' ' THR . 17.6 tppt? -98.95 104.87 16.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.565 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.65 HG11 HG11 ' A' ' 30' ' ' VAL . 73.8 t -94.54 112.12 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.448 0.642 . . . . 0.0 110.749 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.838 HG22 ' OD1' ' A' ' 8' ' ' ASN . 68.1 mt -94.83 128.77 45.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.615 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.468 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 15.2 mt -110.02 105.31 14.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.126 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.838 ' OD1' HG22 ' A' ' 6' ' ' ILE . 5.3 m120 -109.27 108.77 19.49 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.413 ' HA2' ' HG2' ' B' ' 56' ' ' GLU . . . -113.42 -171.26 17.76 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.816 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -77.18 -52.47 9.19 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.959 0.409 . . . . 0.0 110.308 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.48 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 7.8 p -108.12 5.24 25.76 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.453 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.974 HD13 ' HB ' ' B' ' 18' ' ' THR . 24.3 tp -137.41 138.33 39.73 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.093 0.473 . . . . 0.0 111.625 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.484 ' H ' HD12 ' A' ' 12' ' ' LEU . 1.9 mppt? -143.9 143.16 31.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.922 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.67 -176.73 44.15 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 119.989 -1.1 . . . . 0.0 113.586 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -139.23 137.1 35.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.826 0.346 . . . . 0.0 110.131 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.726 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -137.12 167.64 21.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.47 HG22 ' HA ' ' A' ' 4' ' ' LYS . 73.2 p -143.69 119.85 10.79 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -178.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.982 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.6 t -107.65 145.24 33.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.529 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -105.86 116.72 32.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.659 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.08 152.29 35.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.312 0.577 . . . . 0.0 111.887 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.2 t -51.22 -37.78 18.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.018 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.451 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 5.8 p-10 -144.35 170.52 15.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.838 0.351 . . . . 0.0 111.594 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.3 -42.05 85.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.126 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.14 -55.95 20.89 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.838 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.0 p -52.82 -43.93 66.32 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.276 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.697 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.87 -52.46 64.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -50.49 -47.69 57.11 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.347 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -62.76 -45.65 91.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.069 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 25' ' ' THR . 87.3 t -58.41 -39.77 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.03 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.732 ' CG2' HG21 ' A' ' 18' ' ' THR . 45.6 t -68.18 -50.0 62.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 29.2 mtpp -51.45 -43.19 62.01 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.452 ' NE2' ' OD2' ' A' ' 36' ' ' ASP . 35.9 tp60 -59.53 -36.6 76.44 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.928 ' CG ' HD23 ' B' ' 12' ' ' LEU . 49.9 t80 -53.82 -63.43 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.115 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -67.71 -39.73 84.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.702 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.446 ' ND2' HG22 ' B' ' 39' ' ' VAL . 34.6 t-20 -49.79 -39.2 37.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.539 0.685 . . . . 0.0 109.663 178.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.452 ' OD2' ' NE2' ' A' ' 32' ' ' GLN . 59.4 m-20 -94.62 -24.14 17.32 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.858 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.492 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.1 m-20 -79.28 -43.03 24.47 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.035 0.445 . . . . 0.0 110.515 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.44 -114.76 0.0 OUTLIER Glycine 0 CA--C 1.521 0.435 0 CA-C-N 114.746 -1.116 . . . . 0.0 115.491 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.441 HG22 ' ND2' ' B' ' 35' ' ' ASN . 71.7 t -86.05 -55.18 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 -175.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -87.87 25.09 1.6 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.85 165.31 52.9 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 119.611 -1.281 . . . . 0.0 111.417 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -88.66 93.18 9.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.343 0.572 . . . . 0.0 110.619 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.541 ' CH2' HG12 ' B' ' 30' ' ' VAL . 11.5 m95 -93.97 114.4 26.59 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.2 p -109.34 138.21 46.04 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.514 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 8.7 t80 -113.43 144.01 43.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 111.812 -178.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -123.58 83.84 2.19 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.468 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.415 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 12.6 m-20 -45.68 -35.37 4.12 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.723 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.04 -34.27 20.9 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.1 p -128.2 13.72 6.68 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp 51.69 30.38 6.69 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.881 0.372 . . . . 0.0 110.254 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.623 HG23 ' O ' ' B' ' 4' ' ' LYS . 95.4 m -113.02 148.75 34.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.925 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.514 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 2.7 m-85 -120.04 139.0 53.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.469 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 3.0 p -115.38 123.22 48.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.136 0.493 . . . . 0.0 111.062 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -105.56 106.71 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.677 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.729 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 36.8 m -100.36 116.31 32.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.76 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.409 ' HG2' ' HA2' ' B' ' 9' ' ' GLY . 8.4 pt-20 . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.856 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 88.8 mtp . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 121.049 0.452 . . . . 0.0 111.744 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -102.47 140.51 36.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.34 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -124.61 146.36 49.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.183 0.516 . . . . 0.0 111.564 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.623 ' O ' HG23 ' A' ' 51' ' ' THR . 17.6 tppt? -98.92 104.92 17.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.528 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.651 HG21 HG21 ' B' ' 30' ' ' VAL . 73.0 t -94.53 112.13 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.379 0.609 . . . . 0.0 110.721 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.835 HG22 ' OD1' ' B' ' 8' ' ' ASN . 68.5 mt -94.88 128.76 45.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.683 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 15.2 mt -109.95 105.29 14.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.237 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.835 ' OD1' HG22 ' B' ' 6' ' ' ILE . 5.4 m120 -109.18 108.7 19.44 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.409 ' HA2' ' HG2' ' A' ' 56' ' ' GLU . . . -113.41 -171.25 17.76 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.334 -0.936 . . . . 0.0 111.784 178.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -77.1 -52.6 9.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.952 0.406 . . . . 0.0 110.343 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.482 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 7.8 p -107.97 5.32 26.12 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.518 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.982 HD13 ' HB ' ' A' ' 18' ' ' THR . 24.2 tp -137.45 138.19 39.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.145 0.497 . . . . 0.0 111.714 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.481 ' H ' HD12 ' B' ' 12' ' ' LEU . 1.9 mppt? -143.85 143.08 31.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.93 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.63 -176.74 44.12 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 119.979 -1.105 . . . . 0.0 113.436 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -139.15 137.05 35.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.777 0.322 . . . . 0.0 110.175 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.712 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -137.11 167.62 21.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.473 HG22 ' HA ' ' B' ' 4' ' ' LYS . 73.2 p -143.72 119.94 10.83 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.974 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.7 t -107.7 145.24 33.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.481 178.334 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -105.95 116.63 32.27 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -148.94 152.18 35.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.289 0.566 . . . . 0.0 112.0 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -51.12 -37.7 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.102 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.447 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 5.7 p-10 -144.45 170.45 16.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.977 0.418 . . . . 0.0 111.522 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.23 -42.04 85.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.227 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.1 -55.87 21.68 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.841 ' O ' HG23 ' B' ' 29' ' ' VAL . 26.5 p -52.96 -43.97 66.78 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.705 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.73 -52.46 65.03 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -50.65 -47.66 58.52 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.281 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -62.66 -45.67 91.75 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.068 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.841 HG23 ' O ' ' B' ' 25' ' ' THR . 86.4 t -58.47 -39.65 75.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.127 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.729 ' CG2' HG21 ' B' ' 18' ' ' THR . 45.7 t -68.21 -50.08 61.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.416 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . 29.2 mtpp -51.5 -43.04 62.1 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.976 0.417 . . . . 0.0 109.988 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.454 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 35.9 tp60 -59.8 -36.41 76.68 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.933 ' CG ' HD23 ' A' ' 12' ' ' LEU . 49.4 t80 -53.95 -63.28 1.2 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.167 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -67.71 -39.59 84.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.746 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.441 ' ND2' HG22 ' A' ' 39' ' ' VAL . 34.8 t-20 -50.06 -39.04 40.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.56 0.695 . . . . 0.0 109.616 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.454 ' OD2' ' NE2' ' B' ' 32' ' ' GLN . 58.9 m-20 -94.68 -24.17 17.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 114.637 -1.165 . . . . 0.0 112.707 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.487 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.1 m-20 -79.49 -43.06 23.92 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.909 0.385 . . . . 0.0 110.386 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.28 -114.7 0.0 OUTLIER Glycine 0 CA--C 1.523 0.545 0 CA-C-N 114.883 -1.053 . . . . 0.0 115.501 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.446 HG22 ' ND2' ' A' ' 35' ' ' ASN . 72.8 t -86.06 -55.31 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -175.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -87.76 25.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -176.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.78 165.34 52.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 119.757 -1.211 . . . . 0.0 111.302 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -88.93 93.41 9.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.233 0.517 . . . . 0.0 110.673 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.542 ' CH2' HG12 ' A' ' 30' ' ' VAL . 11.3 m95 -94.05 114.31 26.45 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.465 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 59.7 p -109.26 138.19 45.99 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.514 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 8.7 t80 -113.43 143.96 43.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.394 . . . . 0.0 111.842 -178.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -123.5 83.74 2.18 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.524 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.421 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 12.6 m-20 -45.63 -35.31 3.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.769 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.14 -34.22 21.51 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.5 p -128.2 13.66 6.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp 51.68 30.53 6.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.912 0.386 . . . . 0.0 110.157 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 4' ' ' LYS . 95.0 m -113.08 148.78 34.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.878 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.514 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 2.8 m-85 -120.09 138.92 53.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.431 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.0 p -115.3 123.13 47.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.013 0.435 . . . . 0.0 111.125 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.9 t -105.55 106.86 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.65 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.736 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 38.6 m -100.45 116.38 32.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.676 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.413 ' HG2' ' HA2' ' A' ' 9' ' ' GLY . 8.4 pt-20 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.817 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.643 ' CE2' ' NZ ' ' B' ' 50' ' ' LYS . 36.7 m-85 -120.69 142.75 49.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.012 0.434 . . . . 0.0 111.459 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.73 ' O ' HG23 ' B' ' 51' ' ' THR . 22.6 tptm -99.25 103.76 15.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.347 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.586 ' HB ' HG23 ' A' ' 16' ' ' THR . 98.4 t -94.91 123.58 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.331 0.586 . . . . 0.0 111.652 -178.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.417 HG13 ' CG2' ' B' ' 51' ' ' THR . 13.8 mt -102.67 124.86 56.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.547 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.487 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.9 mt -103.15 84.5 2.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.609 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.496 ' O ' ' HA ' ' B' ' 55' ' ' THR . 34.9 t-20 -91.3 106.98 18.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.817 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.43 -167.36 14.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.697 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.544 ' HA ' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -82.43 -58.04 3.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.191 0.519 . . . . 0.0 110.147 179.549 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.461 ' HB ' HG11 ' B' ' 29' ' ' VAL . 3.1 p -100.19 0.23 40.05 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.957 HD13 ' HB ' ' B' ' 18' ' ' THR . 14.3 tp -139.32 138.03 36.33 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.334 0.587 . . . . 0.0 111.641 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.607 ' H ' HD12 ' A' ' 12' ' ' LEU . 27.3 mtpp -145.27 147.41 32.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.322 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.444 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -173.42 -173.26 39.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 119.337 -1.411 . . . . 0.0 114.572 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.592 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 56.0 mm-40 -138.59 126.34 22.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.898 -0.651 . . . . 0.0 110.02 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.82 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -134.34 167.12 21.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.276 -179.511 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.452 HG22 ' HD2' ' A' ' 4' ' ' LYS . 59.2 p -143.42 118.99 10.37 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.938 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.5 t -108.89 144.33 36.94 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.841 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -103.54 115.52 30.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.52 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.639 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -147.51 148.65 31.42 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 121.121 0.486 . . . . 0.0 111.796 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 t -50.88 -28.2 6.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.038 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.54 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -154.48 175.5 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 111.306 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.43 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -60.36 -42.97 96.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.406 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -63.08 -55.12 28.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.868 ' O ' HG23 ' A' ' 29' ' ' VAL . 43.4 p -50.89 -45.51 60.13 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.844 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.18 -52.06 66.91 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.319 178.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -53.3 -45.46 68.96 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.419 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 73.8 mmtt -65.57 -47.53 75.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.316 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 25' ' ' THR . 90.6 t -56.81 -41.36 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.048 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 26' ' ' ALA . 40.8 t -64.61 -46.65 91.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 9.4 mtpm? -49.7 -45.11 48.57 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-O 121.099 0.476 . . . . 0.0 110.064 178.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.456 ' NE2' ' OD2' ' A' ' 36' ' ' ASP . 35.7 tp60 -59.43 -36.49 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.229 178.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.549 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 34.5 t80 -54.5 -62.39 1.69 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.227 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.476 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 23.9 m-85 -68.09 -39.5 82.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.545 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.404 ' ND2' HG21 ' B' ' 39' ' ' VAL . 34.0 t-20 -50.07 -39.44 42.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.595 0.712 . . . . 0.0 109.848 178.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.456 ' OD2' ' NE2' ' A' ' 32' ' ' GLN . 56.9 m-20 -94.89 -23.02 17.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.715 -1.13 . . . . 0.0 112.614 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.477 ' O ' ' C ' ' A' ' 38' ' ' GLY . 88.0 m-20 -79.98 -46.34 16.83 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.988 0.423 . . . . 0.0 109.958 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.95 -116.54 0.0 OUTLIER Glycine 0 C--N 1.332 0.341 0 CA-C-N 114.755 -1.111 . . . . 0.0 115.402 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 39' ' ' VAL . 39.7 t -106.53 2.65 10.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -176.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -125.28 15.48 8.35 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 118.811 0.732 . . . . 0.0 112.021 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.6 172.92 52.49 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.49 -0.862 . . . . 0.0 113.152 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -98.07 100.68 12.02 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 110.428 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.423 ' HH2' HG12 ' B' ' 30' ' ' VAL . 8.3 m95 -96.46 118.69 33.51 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.1 p -109.21 136.14 49.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.887 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 20.4 t80 -107.34 144.78 33.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.935 0.398 . . . . 0.0 111.936 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.465 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.3 t70 -122.85 81.69 1.9 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.578 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.39 -36.34 9.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.792 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.465 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.66 -33.67 16.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.876 -178.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.4 p -128.28 15.48 6.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.569 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.643 ' NZ ' ' CE2' ' B' ' 3' ' ' TYR . 0.4 OUTLIER 50.87 32.24 7.06 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 -179.605 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.736 HG23 ' O ' ' B' ' 4' ' ' LYS . 97.3 m -107.43 148.26 29.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.237 -178.145 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.542 ' HD2' HG22 ' B' ' 5' ' ' VAL . 88.8 m-85 -114.87 118.04 32.41 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.869 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -101.99 123.35 45.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.337 0.589 . . . . 0.0 111.477 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.6 t -108.59 105.61 19.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.494 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 18.6 m -98.44 118.15 34.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.987 0.422 . . . . 0.0 111.654 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.105 179.893 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 55.6 ttm . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.939 0.399 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -101.01 139.48 36.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.97 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.643 ' CE2' ' NZ ' ' A' ' 50' ' ' LYS . 36.6 m-85 -120.64 142.68 49.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.05 0.453 . . . . 0.0 111.523 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.736 ' O ' HG23 ' A' ' 51' ' ' THR . 22.5 tptm -99.14 103.66 15.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.351 179.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.583 ' HB ' HG23 ' B' ' 16' ' ' THR . 98.5 t -94.9 123.73 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.366 0.603 . . . . 0.0 111.689 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' PHE . 13.6 mt -102.83 124.85 57.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.44 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.0 mt -103.15 84.51 2.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.522 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.505 ' O ' ' HA ' ' A' ' 55' ' ' THR . 34.7 t-20 -91.23 106.97 18.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.893 -178.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.48 -167.39 14.29 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.677 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.542 ' HA ' ' NZ ' ' B' ' 10' ' ' LYS . 0.0 OUTLIER -82.39 -58.08 3.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.203 0.525 . . . . 0.0 110.156 179.617 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.459 ' HB ' HG11 ' A' ' 29' ' ' VAL . 3.0 p -100.24 0.2 39.87 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.938 HD13 ' HB ' ' A' ' 18' ' ' THR . 14.4 tp -139.19 137.98 36.51 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.219 0.533 . . . . 0.0 111.733 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.604 ' H ' HD12 ' B' ' 12' ' ' LEU . 27.3 mtpp -145.3 147.43 32.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.411 179.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -173.44 -173.25 39.58 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 119.248 -1.453 . . . . 0.0 114.467 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.596 ' HB3' ' HE2' ' B' ' 4' ' ' LYS . 56.0 mm-40 -138.67 126.34 22.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.796 -0.702 . . . . 0.0 109.977 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.821 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -134.33 167.14 21.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.263 -179.485 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.444 HG22 ' HA ' ' B' ' 4' ' ' LYS . 58.6 p -143.46 118.99 10.34 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.957 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.4 t -108.92 144.32 37.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.773 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -103.59 115.59 30.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.477 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -147.57 148.7 31.43 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 121.166 0.508 . . . . 0.0 111.791 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 25.4 t -50.76 -28.31 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.013 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.539 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -154.48 175.46 13.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.882 0.372 . . . . 0.0 111.297 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.36 -42.92 96.77 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.481 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -63.06 -55.19 27.65 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.866 ' O ' HG23 ' B' ' 29' ' ' VAL . 42.9 p -50.93 -45.53 60.51 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.852 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.18 -52.04 67.01 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -53.22 -45.65 68.75 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.419 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' B' ' 24' ' ' ALA . 73.8 mmtt -65.41 -47.64 75.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.331 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.866 HG23 ' O ' ' B' ' 25' ' ' THR . 90.6 t -56.65 -41.39 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.114 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.852 HG23 ' O ' ' B' ' 26' ' ' ALA . 40.9 t -64.6 -46.75 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.458 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 9.4 mtpm? -49.62 -45.1 47.79 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 121.126 0.488 . . . . 0.0 110.129 178.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.457 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 35.7 tp60 -59.44 -36.48 76.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.225 178.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.548 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 34.4 t80 -54.62 -62.37 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.201 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.476 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 23.9 m-85 -67.9 -39.69 83.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.595 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.411 ' ND2' HG21 ' A' ' 39' ' ' VAL . 33.9 t-20 -50.04 -39.45 41.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.565 0.698 . . . . 0.0 109.865 178.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.457 ' OD2' ' NE2' ' B' ' 32' ' ' GLN . 56.9 m-20 -94.86 -22.98 17.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.567 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.479 ' O ' ' C ' ' B' ' 38' ' ' GLY . 88.0 m-20 -79.95 -46.31 16.95 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.948 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.93 -116.53 0.0 OUTLIER Glycine 0 C--N 1.332 0.357 0 CA-C-N 114.723 -1.126 . . . . 0.0 115.39 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.652 HG12 ' O ' ' B' ' 39' ' ' VAL . 40.0 t -106.59 2.68 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -176.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -125.19 15.21 8.41 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.548 -0.72 . . . . 0.0 112.009 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.24 173.2 53.07 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.467 -0.873 . . . . 0.0 113.185 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -98.31 100.79 12.1 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.413 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.428 ' HH2' HG12 ' A' ' 30' ' ' VAL . 8.2 m95 -96.59 118.63 33.48 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 59.4 p -109.22 136.07 49.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.884 178.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.522 ' CD1' ' CE1' ' B' ' 52' ' ' PHE . 20.3 t80 -107.35 144.84 33.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.004 0.431 . . . . 0.0 111.829 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.462 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.3 t70 -123.0 81.61 1.89 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.471 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.24 -36.36 8.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.784 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.462 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.62 -33.65 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -178.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.0 p -128.27 15.5 6.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.673 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.643 ' NZ ' ' CE2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER 50.87 32.28 7.09 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.598 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 4' ' ' LYS . 97.3 m -107.39 148.33 29.23 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.188 -178.175 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.543 ' HD2' HG22 ' A' ' 5' ' ' VAL . 88.4 m-85 -114.94 118.15 32.64 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.845 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -101.86 123.27 45.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.28 0.562 . . . . 0.0 111.479 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.6 t -108.71 105.61 19.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.471 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 18.5 m -98.29 118.16 34.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.871 0.367 . . . . 0.0 111.578 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.948 179.919 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.411 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 63.3 m-85 -125.78 142.03 51.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.89 0.376 . . . . 0.0 110.977 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.848 ' O ' HG23 ' B' ' 51' ' ' THR . 24.8 ttmm -109.77 111.58 23.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.593 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.7 HG21 HG21 ' A' ' 30' ' ' VAL . 51.8 t -94.29 125.09 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.154 0.502 . . . . 0.0 111.008 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.509 ' HB ' HG22 ' B' ' 53' ' ' THR . 75.9 mt -94.92 122.67 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.584 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.443 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.5 mt -102.97 83.67 2.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.331 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.735 ' O ' ' HA ' ' B' ' 55' ' ' THR . 75.2 m-20 -92.25 106.91 18.82 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.164 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.02 -171.62 18.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.074 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -78.69 -55.13 5.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.872 0.368 . . . . 0.0 110.466 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.573 ' OG1' HG13 ' B' ' 29' ' ' VAL . 7.7 p -105.41 3.33 29.56 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.936 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.964 HD13 ' HB ' ' B' ' 18' ' ' THR . 18.6 tp -137.77 138.61 39.43 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.04 0.448 . . . . 0.0 111.263 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.547 ' H ' HD12 ' A' ' 12' ' ' LEU . 60.7 mttp -145.11 145.08 31.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.23 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.19 -177.2 44.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.031 -1.081 . . . . 0.0 113.482 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -138.9 136.02 35.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.265 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.803 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -134.41 165.65 24.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.069 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.3 p -143.47 119.19 10.48 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.967 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.0 t -107.38 145.64 32.65 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.373 178.338 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -107.99 118.93 38.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.581 0.229 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.601 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -149.07 152.04 35.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.211 0.529 . . . . 0.0 111.968 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.88 -27.67 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.753 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.465 ' OD1' HG23 ' A' ' 25' ' ' THR . 6.4 p-10 -153.39 174.79 13.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 111.542 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.635 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -59.22 -42.91 92.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.255 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.86 -55.31 31.15 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.794 ' O ' HG23 ' A' ' 29' ' ' VAL . 34.1 p -52.14 -45.19 64.9 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.495 ' HB1' HG23 ' A' ' 18' ' ' THR . . . -60.26 -53.43 57.76 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.074 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.42 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 4.8 tp10 -50.3 -50.22 51.29 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.918 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -57.24 -38.84 74.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.994 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 25' ' ' THR . 93.4 t -57.93 -39.74 73.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.7 HG21 HG21 ' A' ' 5' ' ' VAL . 43.1 t -63.96 -48.15 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HD2' ' CZ3' ' B' ' 43' ' ' TRP . 1.0 OUTLIER -46.58 -42.92 16.74 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.675 179.094 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -72.88 -36.46 67.36 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.956 ' CG ' HD23 ' B' ' 12' ' ' LEU . 49.6 t80 -55.75 -57.24 12.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.771 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.47 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 25.1 m-85 -73.39 -40.66 64.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.528 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.587 HD22 HG21 ' B' ' 39' ' ' VAL . 14.4 t-20 -49.84 -37.61 31.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.397 0.618 . . . . 0.0 110.045 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.5 -22.81 18.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.608 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.47 ' O ' ' C ' ' A' ' 38' ' ' GLY . 19.0 m120 -79.62 -46.87 16.42 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 120.272 -0.571 . . . . 0.0 109.466 178.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.33 -120.66 0.0 OUTLIER Glycine 0 C--N 1.334 0.454 0 CA-C-N 114.967 -1.015 . . . . 0.0 115.621 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 39' ' ' VAL . 27.0 t -111.62 3.8 8.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -176.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -125.16 13.33 8.34 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.836 -0.54 . . . . 0.0 112.003 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.67 176.03 53.41 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.992 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -97.78 101.04 12.45 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.781 0.324 . . . . 0.0 110.138 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CH2' HG12 ' B' ' 30' ' ' VAL . 14.4 m0 -98.52 120.86 39.67 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -178.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.9 p -103.34 134.11 47.28 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.506 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 11.3 t80 -106.35 140.1 39.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.894 0.378 . . . . 0.0 111.511 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.494 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.4 t70 -123.26 81.41 1.88 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.558 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.23 -35.46 12.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.438 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.494 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.92 -31.08 11.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.97 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.4 p -126.97 14.55 7.37 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 48.95 38.48 12.46 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.066 0.46 . . . . 0.0 110.384 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.847 HG23 ' O ' ' B' ' 4' ' ' LYS . 97.4 m -121.58 141.64 50.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.475 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.683 ' O ' HG13 ' B' ' 5' ' ' VAL . 96.4 m-85 -108.91 95.54 5.72 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-O 121.334 0.588 . . . . 0.0 111.879 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.509 HG22 ' HB ' ' B' ' 6' ' ' ILE . 2.5 p -76.59 130.12 37.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.693 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.2 t -122.14 127.53 75.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.385 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.725 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 5.6 m -116.27 124.16 49.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.019 0.438 . . . . 0.0 111.678 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.887 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.475 ' HG3' ' CE1' ' B' ' 3' ' ' TYR . 55.0 tpp . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.986 0.422 . . . . 0.0 111.459 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -101.73 140.21 36.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.829 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.475 ' CE1' ' HG3' ' B' ' 1' ' ' MET . 63.7 m-85 -125.67 142.01 51.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.794 0.33 . . . . 0.0 111.053 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.847 ' O ' HG23 ' A' ' 51' ' ' THR . 24.8 ttmm -109.76 111.57 23.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.562 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.698 HG21 HG21 ' B' ' 30' ' ' VAL . 51.1 t -94.29 125.12 46.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.246 0.546 . . . . 0.0 111.015 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.509 ' HB ' HG22 ' A' ' 53' ' ' THR . 75.6 mt -94.94 122.75 46.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.575 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mt -102.98 83.69 2.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.287 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.725 ' O ' ' HA ' ' A' ' 55' ' ' THR . 75.1 m-20 -92.26 106.96 18.86 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.092 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.1 -171.65 18.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.96 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -78.64 -55.05 5.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.924 0.392 . . . . 0.0 110.562 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.574 ' OG1' HG13 ' A' ' 29' ' ' VAL . 7.7 p -105.46 3.36 29.46 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.953 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.967 HD13 ' HB ' ' A' ' 18' ' ' THR . 18.9 tp -137.82 138.66 39.41 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.051 0.453 . . . . 0.0 111.252 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.55 ' H ' HD12 ' B' ' 12' ' ' LEU . 60.8 mttp -145.15 145.07 31.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.228 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.13 -177.14 43.99 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 119.98 -1.105 . . . . 0.0 113.475 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -138.87 136.14 35.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.918 0.39 . . . . 0.0 110.239 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.793 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -134.52 165.66 24.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.99 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 69.1 p -143.49 119.18 10.46 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.964 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.0 t -107.39 145.71 32.59 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.368 178.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -108.07 118.96 38.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.663 0.268 . . . . 0.0 110.759 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.599 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -149.1 152.0 35.4 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 121.204 0.526 . . . . 0.0 111.964 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.88 -27.62 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.691 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.464 ' OD1' HG23 ' B' ' 25' ' ' THR . 6.5 p-10 -153.42 174.76 13.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.998 0.428 . . . . 0.0 111.47 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.63 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -59.21 -42.93 92.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.353 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.93 -55.16 32.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.045 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.796 ' O ' HG23 ' B' ' 29' ' ' VAL . 34.2 p -52.18 -45.09 65.01 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 178.389 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.492 ' HB1' HG23 ' B' ' 18' ' ' THR . . . -60.41 -53.41 57.89 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 178.037 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.423 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 4.8 tp10 -50.2 -50.28 49.94 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.972 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -57.13 -38.84 74.06 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.066 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.796 HG23 ' O ' ' B' ' 25' ' ' THR . 93.7 t -57.99 -39.7 73.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.698 HG21 HG21 ' B' ' 5' ' ' VAL . 43.0 t -63.94 -48.23 87.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.463 ' HD2' ' CZ3' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -46.67 -42.82 17.01 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.72 179.173 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -72.83 -36.49 67.49 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.956 ' CG ' HD23 ' A' ' 12' ' ' LEU . 49.9 t80 -55.77 -57.26 12.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.792 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.468 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 25.2 m-85 -73.31 -40.69 64.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.629 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.58 HD22 HG21 ' A' ' 39' ' ' VAL . 14.4 t-20 -49.77 -37.63 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.346 0.593 . . . . 0.0 110.027 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.49 -22.8 18.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.08 -0.964 . . . . 0.0 112.551 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.47 ' O ' ' C ' ' B' ' 38' ' ' GLY . 19.0 m120 -79.73 -46.81 16.37 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.459 178.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.37 -120.65 0.0 OUTLIER Glycine 0 C--N 1.334 0.435 0 CA-C-N 114.986 -1.006 . . . . 0.0 115.562 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' B' ' 39' ' ' VAL . 26.9 t -111.63 3.9 8.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -176.361 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -125.25 13.22 8.28 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 121.789 -0.569 . . . . 0.0 111.985 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.61 175.98 53.45 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.078 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -97.73 101.03 12.43 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.566 ' CH2' HG12 ' A' ' 30' ' ' VAL . 14.5 m0 -98.49 120.93 39.77 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 66.4 p -103.36 134.1 47.31 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.503 ' CD1' ' CE1' ' B' ' 52' ' ' PHE . 11.1 t80 -106.31 140.11 39.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.382 . . . . 0.0 111.488 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.493 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.4 t70 -123.22 81.41 1.88 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.587 179.44 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.32 -35.44 12.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.43 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.493 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.98 -30.94 11.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.899 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.9 p -127.02 14.58 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 48.98 38.47 12.54 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.035 0.445 . . . . 0.0 110.437 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.848 HG23 ' O ' ' A' ' 4' ' ' LYS . 99.6 m -121.47 141.65 50.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.516 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.679 ' O ' HG13 ' A' ' 5' ' ' VAL . 96.5 m-85 -108.94 95.5 5.69 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.339 0.59 . . . . 0.0 111.851 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.509 HG22 ' HB ' ' A' ' 6' ' ' ILE . 2.6 p -76.5 130.14 37.52 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.719 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.2 t -122.13 127.49 75.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.491 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.735 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 5.6 m -116.31 124.17 49.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.028 0.442 . . . . 0.0 111.613 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.884 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.824 0.345 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -133.95 151.75 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.6 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.57 ' HA ' HG22 ' A' ' 17' ' ' THR . 39.1 ttpt -101.39 108.3 19.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.392 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.53 ' HB ' HG23 ' A' ' 16' ' ' THR . 67.3 t -94.75 111.82 26.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.42 0.629 . . . . 0.0 110.957 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.819 HG22 ' OD1' ' A' ' 8' ' ' ASN . 69.9 mt -94.68 131.43 41.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.233 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.452 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 14.7 mt -111.24 103.35 11.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.495 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.819 ' OD1' HG22 ' A' ' 6' ' ' ILE . 5.2 m120 -106.99 108.9 20.63 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -178.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.19 -170.74 17.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.919 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 4.0 mptp? -78.0 -54.81 5.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.898 0.38 . . . . 0.0 110.679 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.454 ' OG1' HG13 ' B' ' 29' ' ' VAL . 9.2 p -104.62 4.54 32.86 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.342 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.987 HD13 ' HB ' ' B' ' 18' ' ' THR . 23.6 tp -138.66 138.58 37.92 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.147 0.499 . . . . 0.0 111.65 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.484 ' H ' HD12 ' A' ' 12' ' ' LEU . 1.7 mppt? -144.89 145.41 31.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.049 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.475 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -177.63 -170.77 40.35 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 119.98 -1.105 . . . . 0.0 113.464 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -145.27 140.82 28.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.772 0.32 . . . . 0.0 110.498 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.713 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -141.56 169.32 17.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.573 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.57 HG22 ' HA ' ' A' ' 4' ' ' LYS . 47.4 p -143.19 120.07 11.28 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.987 ' HB ' HD13 ' B' ' 12' ' ' LEU . 15.3 t -107.16 142.56 36.68 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.047 179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -98.19 110.18 22.81 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.678 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -145.73 147.86 32.38 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.137 0.494 . . . . 0.0 111.952 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.0 t -50.89 -28.04 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.987 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.64 ' OD1' HG23 ' A' ' 25' ' ' THR . 58.1 p30 -158.13 177.81 10.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.954 0.407 . . . . 0.0 111.584 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.87 91.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.511 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.43 -55.65 28.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.116 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.861 ' O ' HG23 ' A' ' 29' ' ' VAL . 46.5 p -51.3 -45.54 62.22 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.789 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.11 -53.85 53.7 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.42 ' OE2' ' CE3' ' B' ' 43' ' ' TRP . 40.4 tp10 -48.56 -47.98 39.06 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.33 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -65.5 -48.9 71.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.1 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 25' ' ' THR . 85.2 t -54.91 -42.28 62.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.378 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 26' ' ' ALA . 29.5 t -65.54 -47.92 84.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 64.9 mttm -49.87 -41.92 46.5 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.152 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -63.71 -37.17 86.35 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.935 ' CG ' HD23 ' B' ' 12' ' ' LEU . 39.6 t80 -54.97 -59.08 5.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.181 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -70.84 -40.82 72.16 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.941 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 29.4 t-20 -49.49 -38.55 30.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.492 0.663 . . . . 0.0 109.716 178.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -94.37 -22.81 18.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.717 -1.129 . . . . 0.0 112.491 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.472 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 88.2 m-20 -81.53 -46.84 13.91 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.028 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -8.89 -116.11 0.0 OUTLIER Glycine 0 C--N 1.333 0.367 0 N-CA-C 115.763 1.065 . . . . 0.0 115.763 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.65 HG12 ' O ' ' A' ' 39' ' ' VAL . 32.5 t -110.63 5.02 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -176.371 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -125.14 11.75 8.23 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.818 -0.551 . . . . 0.0 111.729 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.67 175.9 52.2 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.556 -0.831 . . . . 0.0 113.106 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -98.73 100.83 12.08 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.757 0.313 . . . . 0.0 110.535 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.514 ' HH2' HG12 ' B' ' 30' ' ' VAL . 13.9 m95 -91.32 112.23 24.05 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.1 p -104.46 133.24 49.67 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.426 ' CD2' ' OD1' ' A' ' 47' ' ' ASP . 9.8 t80 -111.9 144.98 40.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.896 0.379 . . . . 0.0 111.442 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -123.17 84.83 2.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.959 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.426 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 22.3 m-20 -48.7 -36.77 16.91 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.378 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.78 -33.4 16.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.013 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.5 p -127.41 15.29 7.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.609 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? 46.46 36.27 3.4 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.182 0.515 . . . . 0.0 110.679 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.682 HG21 HD12 ' B' ' 6' ' ' ILE . 98.6 m -116.59 146.49 42.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.264 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' B' ' 6' ' ' ILE . 61.8 m-85 -110.11 126.93 54.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.07 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 3.0 p -110.6 125.97 53.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.02 0.438 . . . . 0.0 111.206 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.8 t -114.56 115.01 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.064 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.621 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 10.1 m -99.91 113.28 25.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.982 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.419 ' O ' ' HE2' ' B' ' 10' ' ' LYS . 4.3 tm-20 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.042 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.432 ' HE3' ' CZ ' ' B' ' 3' ' ' TYR . 44.0 ttp . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.639 0.257 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -109.85 149.22 30.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.657 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.432 ' CZ ' ' HE3' ' B' ' 1' ' ' MET . 4.7 m-85 -133.85 151.78 51.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.616 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.572 ' HA ' HG22 ' B' ' 17' ' ' THR . 39.0 ttpt -101.44 108.15 19.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 110.428 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.521 ' HB ' HG23 ' B' ' 16' ' ' THR . 67.2 t -94.65 111.92 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 121.405 0.621 . . . . 0.0 111.033 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.827 HG22 ' OD1' ' B' ' 8' ' ' ASN . 70.3 mt -94.7 131.55 41.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.217 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 14.5 mt -111.37 103.49 11.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.463 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.827 ' OD1' HG22 ' B' ' 6' ' ' ILE . 5.2 m120 -107.16 108.8 20.42 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -178.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.1 -170.75 17.11 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.469 -0.872 . . . . 0.0 111.895 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' B' ' 10' ' ' LYS . 4.0 mptp? -78.06 -54.72 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.888 0.375 . . . . 0.0 110.591 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.453 ' OG1' HG13 ' A' ' 29' ' ' VAL . 9.3 p -104.82 4.65 32.39 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.326 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.987 HD13 ' HB ' ' A' ' 18' ' ' THR . 23.3 tp -138.76 138.57 37.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.126 0.489 . . . . 0.0 111.583 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.481 ' H ' HD12 ' B' ' 12' ' ' LEU . 1.7 mppt? -144.94 145.37 31.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.083 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -177.63 -170.8 40.37 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.029 -1.081 . . . . 0.0 113.545 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -145.2 140.83 28.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.754 0.311 . . . . 0.0 110.507 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.711 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -141.55 169.16 18.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.545 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.572 HG22 ' HA ' ' B' ' 4' ' ' LYS . 46.5 p -143.15 120.12 11.34 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.987 ' HB ' HD13 ' A' ' 12' ' ' LEU . 15.3 t -107.08 142.73 36.28 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.029 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -98.3 110.34 22.94 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.675 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -145.76 147.93 32.42 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.168 0.508 . . . . 0.0 111.972 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 37.2 t -50.9 -28.05 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.069 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.645 ' OD1' HG23 ' B' ' 25' ' ' THR . 58.2 p30 -158.12 177.78 10.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.93 0.395 . . . . 0.0 111.623 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.87 91.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.626 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.39 -55.73 28.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.089 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.864 ' O ' HG23 ' B' ' 29' ' ' VAL . 46.8 p -51.22 -45.59 61.98 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.8 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -58.96 -53.95 52.58 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.417 ' OE2' ' CE3' ' A' ' 43' ' ' TRP . 40.5 tp10 -48.52 -48.05 38.58 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.389 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -65.42 -48.88 71.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.104 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.864 HG23 ' O ' ' B' ' 25' ' ' THR . 83.9 t -54.94 -42.31 63.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.281 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.8 HG23 ' O ' ' B' ' 26' ' ' ALA . 29.0 t -65.56 -47.86 84.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 64.9 mttm -49.95 -41.95 47.61 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.14 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -63.54 -37.29 86.74 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.938 ' CG ' HD23 ' A' ' 12' ' ' LEU . 39.3 t80 -54.96 -59.08 5.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.173 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -70.81 -40.87 72.24 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.895 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' B' ' 31' ' ' LYS . 29.4 t-20 -49.45 -38.6 30.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.607 0.717 . . . . 0.0 109.78 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -94.31 -22.78 18.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.704 -1.135 . . . . 0.0 112.539 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.473 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 88.2 m-20 -81.56 -46.89 13.8 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.06 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -8.81 -116.23 0.0 OUTLIER Glycine 0 CA--C 1.519 0.324 0 CA-C-N 114.97 -1.014 . . . . 0.0 115.615 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.645 HG12 ' O ' ' B' ' 39' ' ' VAL . 32.5 t -110.56 5.08 8.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -176.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -125.15 11.6 8.21 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.872 -0.517 . . . . 0.0 111.784 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.6 175.94 52.32 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.596 -0.811 . . . . 0.0 113.111 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -98.81 100.77 12.01 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.774 0.321 . . . . 0.0 110.539 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.506 ' HH2' HG12 ' A' ' 30' ' ' VAL . 13.9 m95 -91.36 112.2 24.01 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 64.1 p -104.46 133.18 49.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.666 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.429 ' CD2' ' OD1' ' B' ' 47' ' ' ASP . 9.9 t80 -111.82 144.96 40.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.984 0.421 . . . . 0.0 111.44 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -123.15 84.96 2.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.869 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.429 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 22.1 m-20 -48.68 -36.77 16.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.495 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.82 -33.48 16.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.997 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 72.1 p -127.39 15.47 7.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? 46.46 36.11 3.3 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.17 0.51 . . . . 0.0 110.7 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.677 HG21 HD12 ' A' ' 6' ' ' ILE . 98.9 m -116.47 146.53 42.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.268 -179.231 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 6' ' ' ILE . 62.0 m-85 -110.09 126.94 54.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -110.65 125.96 54.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.068 0.461 . . . . 0.0 111.123 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 48.5 t -114.5 115.01 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.099 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.62 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 10.0 m -99.97 113.33 25.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.895 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.423 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 4.3 tm-20 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.383 -0.818 . . . . 0.0 111.058 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.755 0.312 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -127.94 148.16 50.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.82 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.488 ' HB2' ' NZ ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -94.9 135.29 36.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.406 179.617 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.951 ' HB ' HG23 ' A' ' 16' ' ' THR . 47.7 t -122.22 117.43 52.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.172 0.511 . . . . 0.0 111.054 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.601 ' HB ' HG22 ' B' ' 53' ' ' THR . 70.9 mt -98.88 118.7 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.72 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.456 ' CD2' HG12 ' A' ' 5' ' ' VAL . 9.3 mt -101.22 88.47 3.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.909 0.385 . . . . 0.0 110.315 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.578 ' O ' ' HA ' ' B' ' 55' ' ' THR . 70.7 m-20 -95.55 105.46 17.44 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.319 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.16 -171.14 20.0 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.219 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -73.74 -55.26 6.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.709 0.29 . . . . 0.0 111.134 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.544 ' OG1' HG13 ' B' ' 29' ' ' VAL . 4.7 p -112.85 13.15 19.62 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.193 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.956 HD23 ' CG ' ' B' ' 33' ' ' PHE . 20.9 tp -138.54 138.45 38.0 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.978 0.418 . . . . 0.0 110.922 -179.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.525 ' H ' HD12 ' A' ' 12' ' ' LEU . 35.2 mmtp -141.35 140.13 33.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.492 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -174.11 -176.64 42.68 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 119.929 -1.129 . . . . 0.0 113.45 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.411 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 54.4 mp0 -142.91 140.88 31.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.466 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.951 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -137.89 168.46 19.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.919 -179.81 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.487 ' O ' HD12 ' B' ' 12' ' ' LEU . 81.3 p -143.63 121.26 11.81 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -179.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.944 ' HB ' HD13 ' B' ' 12' ' ' LEU . 10.3 t -105.98 141.01 38.09 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.188 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -100.68 111.92 24.23 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.632 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -147.6 151.2 35.84 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 121.3 0.571 . . . . 0.0 112.082 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.1 t -51.02 -37.12 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.114 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.633 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -144.11 171.12 14.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.802 0.334 . . . . 0.0 111.311 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.529 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -57.5 -42.46 82.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.57 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.84 -54.47 38.36 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.755 ' O ' HG23 ' A' ' 29' ' ' VAL . 74.0 p -52.13 -45.87 65.14 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.632 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.98 -51.79 68.14 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.282 178.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.488 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 44.6 tt0 -53.15 -48.53 67.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.818 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -57.53 -39.64 77.04 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.832 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 25' ' ' THR . 86.9 t -56.88 -39.79 67.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.751 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.486 ' CG1' ' CE2' ' A' ' 34' ' ' PHE . 10.5 t -63.66 -47.23 92.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.599 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.488 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 4.2 mptp? -47.56 -46.42 27.89 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.886 0.374 . . . . 0.0 110.484 178.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -69.38 -38.09 77.86 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.958 ' CG ' HD23 ' B' ' 12' ' ' LEU . 62.9 t80 -55.26 -53.61 53.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.866 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.486 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 22.7 m-85 -76.81 -39.83 50.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.403 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.6 HD22 HG21 ' B' ' 39' ' ' VAL . 14.7 t-20 -50.17 -37.72 36.15 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.389 0.614 . . . . 0.0 110.029 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -94.22 -24.47 17.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.531 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.559 ' OD1' HG12 ' A' ' 54' ' ' VAL . 84.7 m-20 -77.49 -46.46 22.39 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 37' ' ' ASN . . . -4.16 -122.55 0.0 OUTLIER Glycine 0 C--N 1.334 0.425 0 CA-C-N 114.777 -1.101 . . . . 0.0 115.595 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.664 HG12 ' O ' ' A' ' 39' ' ' VAL . 33.3 t -112.04 4.9 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.56 13.4 8.73 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.877 -0.514 . . . . 0.0 112.125 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.17 176.33 53.8 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.508 -0.853 . . . . 0.0 113.016 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -96.9 102.9 14.77 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.472 ' CH2' ' HD2' ' B' ' 31' ' ' LYS . 7.2 m0 -100.36 120.49 40.04 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.422 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 74.7 p -107.16 135.77 48.12 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.515 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 8.5 t80 -111.26 144.44 40.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.962 0.41 . . . . 0.0 111.421 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.452 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.7 t0 -123.27 83.39 2.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.608 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 52.8 m-20 -48.0 -37.31 14.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.424 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.452 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -53.16 -35.12 59.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.042 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.1 p -115.82 10.56 15.35 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.486 ' HB3' ' NZ ' ' A' ' 50' ' ' LYS . 2.8 mmmp? 49.05 34.9 6.15 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.78 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 70.7 m -127.11 146.12 50.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.105 0.479 . . . . 0.0 111.871 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.527 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 1.9 m-85 -109.84 141.15 42.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.828 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.608 HG22 ' HB ' ' B' ' 6' ' ' ILE . 2.8 p -120.45 128.26 53.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.264 0.554 . . . . 0.0 111.939 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.559 HG12 ' OD1' ' A' ' 37' ' ' ASN . 48.0 t -108.05 108.95 26.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.109 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.578 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 2.9 m -99.88 112.3 24.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.987 0.422 . . . . 0.0 111.378 -178.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.932 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.469 ' HE2' ' CE ' ' A' ' 50' ' ' LYS . 18.3 ttt . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.717 0.294 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -106.58 141.29 38.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.335 . . . . 0.0 111.132 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -128.0 148.18 50.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.484 ' NZ ' ' HB2' ' B' ' 4' ' ' LYS . 0.1 OUTLIER -95.01 135.36 36.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.303 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.952 ' HB ' HG23 ' B' ' 16' ' ' THR . 47.6 t -122.25 117.4 52.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.136 0.493 . . . . 0.0 111.044 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.608 ' HB ' HG22 ' A' ' 53' ' ' THR . 70.9 mt -98.89 118.63 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.777 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.45 ' CD2' HG12 ' B' ' 5' ' ' VAL . 9.3 mt -101.15 88.5 3.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.935 0.398 . . . . 0.0 110.371 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.578 ' O ' ' HA ' ' A' ' 55' ' ' THR . 70.9 m-20 -95.62 105.46 17.45 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.344 -179.015 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.25 -171.16 19.94 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.21 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -73.54 -55.41 6.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.689 0.281 . . . . 0.0 111.185 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.546 ' OG1' HG13 ' A' ' 29' ' ' VAL . 4.8 p -112.72 12.97 19.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.189 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.958 HD23 ' CG ' ' A' ' 33' ' ' PHE . 20.9 tp -138.45 138.34 38.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.998 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.523 ' H ' HD12 ' B' ' 12' ' ' LEU . 35.2 mmtp -141.19 140.2 33.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.128 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -174.09 -176.73 42.73 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.011 -1.09 . . . . 0.0 113.446 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 54.6 mp0 -142.92 141.05 31.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.95 0.405 . . . . 0.0 110.421 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.952 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -138.0 168.51 19.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.949 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.488 ' O ' HD12 ' A' ' 12' ' ' LEU . 79.2 p -143.77 121.18 11.66 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.939 ' HB ' HD13 ' A' ' 12' ' ' LEU . 10.1 t -106.01 141.07 38.02 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.133 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -100.67 111.79 24.08 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.632 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -147.52 151.25 36.04 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.284 0.564 . . . . 0.0 112.121 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.2 t -51.09 -37.05 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.006 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.634 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -144.24 171.05 14.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.871 0.367 . . . . 0.0 111.267 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.527 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -57.48 -42.38 82.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.648 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.85 -54.36 39.92 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.756 ' O ' HG23 ' B' ' 29' ' ' VAL . 75.2 p -52.24 -45.72 65.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.632 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -60.03 -51.85 67.87 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.206 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.483 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 44.6 tt0 -53.14 -48.55 67.82 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.872 179.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -57.52 -39.6 76.91 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.829 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.756 HG23 ' O ' ' B' ' 25' ' ' THR . 87.1 t -56.85 -39.9 67.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.695 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.488 ' CG1' ' CE2' ' B' ' 34' ' ' PHE . 10.5 t -63.65 -47.36 91.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.483 ' HD3' ' O ' ' B' ' 27' ' ' GLU . 4.1 mptp? -47.48 -46.45 27.04 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.921 0.391 . . . . 0.0 110.557 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -69.28 -38.2 78.24 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.956 ' CG ' HD23 ' A' ' 12' ' ' LEU . 62.8 t80 -55.19 -53.64 53.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.877 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.488 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 22.8 m-85 -76.66 -39.95 50.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.365 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.595 HD22 HG21 ' A' ' 39' ' ' VAL . 14.6 t-20 -50.19 -37.72 36.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.446 0.641 . . . . 0.0 110.056 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -94.25 -24.46 17.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.133 -0.94 . . . . 0.0 112.501 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.561 ' OD1' HG12 ' B' ' 54' ' ' VAL . 84.7 m-20 -77.49 -46.35 22.74 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' B' ' 37' ' ' ASN . . . -4.21 -122.57 0.0 OUTLIER Glycine 0 C--N 1.333 0.415 0 CA-C-N 114.678 -1.147 . . . . 0.0 115.587 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.667 HG12 ' O ' ' B' ' 39' ' ' VAL . 34.1 t -112.0 4.89 8.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -176.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.54 13.41 8.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.841 -0.537 . . . . 0.0 112.067 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.27 176.3 53.73 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.997 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -96.78 102.89 14.76 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.471 ' CZ3' ' HB ' ' A' ' 30' ' ' VAL . 7.1 m0 -100.26 120.43 39.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.462 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 75.0 p -107.23 135.65 48.4 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.513 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 8.4 t80 -111.15 144.36 40.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.939 0.399 . . . . 0.0 111.425 -178.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.451 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.6 t0 -123.2 83.34 2.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.75 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 53.2 m-20 -47.88 -37.52 14.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.338 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.451 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -53.1 -35.01 59.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.022 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.4 p -115.92 10.64 15.26 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.483 ' NZ ' ' HB3' ' B' ' 50' ' ' LYS . 2.8 mmmp? 48.96 34.95 5.99 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.837 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 70.0 m -127.14 145.99 50.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.075 0.464 . . . . 0.0 111.917 -178.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.529 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 1.9 m-85 -109.77 141.2 42.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.886 179.152 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.601 HG22 ' HB ' ' A' ' 6' ' ' ILE . 2.7 p -120.5 128.26 52.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.322 0.582 . . . . 0.0 111.911 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.561 HG12 ' OD1' ' B' ' 37' ' ' ASN . 47.9 t -107.89 108.97 26.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.139 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.578 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 2.9 m -99.95 112.19 24.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.019 0.438 . . . . 0.0 111.457 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.974 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 17' ' ' THR . 21.2 m-85 -125.91 143.68 50.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.706 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.807 ' O ' HG23 ' B' ' 51' ' ' THR . 6.8 ttpm? -105.83 108.47 20.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.206 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.804 ' HB ' HG23 ' A' ' 16' ' ' THR . 52.0 t -94.8 132.03 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.278 0.561 . . . . 0.0 111.374 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.44 HG13 ' CG2' ' B' ' 51' ' ' THR . 67.2 mt -101.25 116.22 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.512 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.449 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.2 mt -94.85 89.85 5.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.535 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.587 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.6 t-20 -98.23 105.48 17.63 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.913 -178.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.512 ' HA2' ' OE1' ' B' ' 56' ' ' GLU . . . -113.98 -166.63 15.96 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.033 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.478 ' HG2' ' HG3' ' B' ' 56' ' ' GLU . 28.3 mmmt -72.0 -57.08 4.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.327 . . . . 0.0 111.326 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.641 ' OG1' HG13 ' B' ' 29' ' ' VAL . 3.9 p -114.73 15.0 17.61 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.093 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.964 HD13 ' HB ' ' B' ' 18' ' ' THR . 33.1 tp -139.54 139.22 36.82 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.127 0.489 . . . . 0.0 111.342 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.465 ' H ' HD12 ' A' ' 12' ' ' LEU . 66.4 mttm -145.28 144.61 30.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.208 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.539 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.04 -169.75 39.34 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.059 -1.067 . . . . 0.0 113.542 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -145.36 136.7 25.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.032 0.444 . . . . 0.0 110.749 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.804 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -131.54 168.17 18.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.904 -179.766 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.485 ' O ' HD12 ' B' ' 12' ' ' LEU . 66.9 p -143.44 118.47 10.05 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.986 ' HB ' HD13 ' B' ' 12' ' ' LEU . 10.3 t -107.44 143.57 35.6 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.349 178.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -106.71 112.65 25.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.645 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -143.22 153.16 42.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.372 0.606 . . . . 0.0 112.001 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -50.79 -26.0 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.806 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.546 ' OD1' HG23 ' A' ' 25' ' ' THR . 7.9 p-10 -157.97 174.95 14.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.007 0.432 . . . . 0.0 111.635 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -58.21 -42.0 85.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.323 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -62.52 -54.11 44.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.174 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.831 ' O ' HG23 ' A' ' 29' ' ' VAL . 33.3 p -52.4 -44.68 65.51 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.466 ' HB1' ' CG2' ' A' ' 18' ' ' THR . . . -60.26 -53.15 61.08 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.138 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -51.09 -48.5 61.65 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.773 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -61.57 -44.26 97.36 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.108 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 25' ' ' THR . 78.7 t -55.47 -44.57 76.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.654 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.741 HG21 HG21 ' A' ' 5' ' ' VAL . 90.7 t -65.06 -47.54 87.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.446 ' HA ' ' CH2' ' B' ' 43' ' ' TRP . 90.7 mttt -48.34 -49.0 36.02 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.591 179.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.424 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 58.7 tt0 -66.7 -35.81 81.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.512 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.948 ' CG ' HD23 ' B' ' 12' ' ' LEU . 69.8 t80 -52.59 -51.46 59.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.999 178.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.433 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 26.3 m-85 -77.34 -37.21 52.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.305 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.562 ' ND2' HG22 ' B' ' 39' ' ' VAL . 27.7 t-20 -49.92 -39.78 41.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.629 0.728 . . . . 0.0 109.81 178.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.71 -24.34 17.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.722 -1.126 . . . . 0.0 112.863 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 88.8 m-20 -78.22 -46.14 21.2 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -3.61 -119.53 0.0 OUTLIER Glycine 0 CA--C 1.521 0.427 0 CA-C-N 114.415 -1.266 . . . . 0.0 116.156 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.557 HG22 ' ND2' ' B' ' 35' ' ' ASN . 58.7 t -85.52 -55.23 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 -175.15 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -92.2 29.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -176.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.64 161.76 54.26 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 119.887 -1.149 . . . . 0.0 112.057 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -87.53 99.17 11.83 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.86 0.33 . . . . 0.0 110.11 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.612 ' CH2' HG12 ' B' ' 30' ' ' VAL . 8.4 m0 -100.91 118.95 37.97 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.9 p -110.65 137.81 47.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.51 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 8.4 t80 -114.62 144.8 42.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.726 0.298 . . . . 0.0 111.526 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.655 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.1 t70 -123.52 84.34 2.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.59 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 17.9 m-20 -47.93 -34.05 8.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.33 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.655 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.91 -34.09 19.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.22 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.4 p -125.25 16.0 8.37 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 50' ' ' LYS . 8.3 mmmt 48.95 35.41 6.69 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.702 0.287 . . . . 0.0 110.613 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.805 HG23 ' O ' ' B' ' 4' ' ' LYS . 95.8 m -125.23 142.01 51.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.007 0.432 . . . . 0.0 111.845 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.51 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 6.8 m-85 -107.7 138.99 42.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.352 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -116.24 125.77 52.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.204 0.526 . . . . 0.0 111.025 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.1 t -113.89 119.22 60.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.143 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.588 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 8.9 m -100.45 110.15 22.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.42 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.507 ' OE1' ' HA2' ' B' ' 9' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.204 -0.903 . . . . 0.0 112.299 -178.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.8 mmm . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 121.049 0.452 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -105.83 144.83 32.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.158 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' B' ' 17' ' ' THR . 21.3 m-85 -125.8 143.73 50.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.756 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.805 ' O ' HG23 ' A' ' 51' ' ' THR . 6.8 ttpm? -105.72 108.57 20.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.109 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.81 ' HB ' HG23 ' B' ' 16' ' ' THR . 51.2 t -94.84 131.96 40.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.335 0.588 . . . . 0.0 111.421 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.444 HG13 ' CG2' ' A' ' 51' ' ' THR . 67.1 mt -101.1 116.12 44.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.433 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.2 mt -94.89 89.84 5.79 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.588 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.7 t-20 -98.19 105.49 17.64 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.988 -178.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.507 ' HA2' ' OE1' ' A' ' 56' ' ' GLU . . . -113.89 -166.73 16.06 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.437 -0.887 . . . . 0.0 113.005 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.469 ' HG2' ' HG3' ' A' ' 56' ' ' GLU . 28.3 mmmt -71.97 -57.06 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 111.298 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.633 ' OG1' HG13 ' A' ' 29' ' ' VAL . 3.8 p -114.74 15.06 17.58 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.154 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.986 HD13 ' HB ' ' A' ' 18' ' ' THR . 32.7 tp -139.53 139.22 36.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.125 0.488 . . . . 0.0 111.262 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.463 ' H ' HD12 ' B' ' 12' ' ' LEU . 66.4 mttm -145.27 144.53 30.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.223 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.543 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.04 -169.8 39.4 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 119.971 -1.109 . . . . 0.0 113.398 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -145.34 136.76 25.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.047 0.451 . . . . 0.0 110.64 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.81 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.1 OUTLIER -131.57 168.19 18.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.008 -179.844 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.489 ' O ' HD12 ' A' ' 12' ' ' LEU . 66.5 p -143.44 118.48 10.05 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.964 ' HB ' HD13 ' A' ' 12' ' ' LEU . 10.4 t -107.44 143.54 35.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.303 178.281 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -106.68 112.8 25.94 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.642 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -143.4 153.08 42.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.216 0.531 . . . . 0.0 112.025 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -50.79 -25.97 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.814 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.538 ' OD1' HG23 ' B' ' 25' ' ' THR . 7.9 p-10 -157.93 174.86 14.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 111.649 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.427 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -58.1 -42.11 84.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.364 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.49 -54.04 45.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.189 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.834 ' O ' HG23 ' B' ' 29' ' ' VAL . 32.8 p -52.55 -44.69 65.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.428 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.465 ' HB1' ' CG2' ' B' ' 18' ' ' THR . . . -60.1 -53.29 59.49 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.068 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -51.0 -48.6 61.32 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.797 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -61.34 -44.45 97.18 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.029 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.834 HG23 ' O ' ' B' ' 25' ' ' THR . 78.2 t -55.4 -44.55 76.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.65 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.742 HG21 HG21 ' B' ' 5' ' ' VAL . 90.7 t -65.23 -47.44 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.445 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . 90.7 mttt -48.33 -49.02 35.8 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 120.955 0.407 . . . . 0.0 110.601 179.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.424 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 58.8 tt0 -66.63 -35.82 81.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.56 179.165 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.949 ' CG ' HD23 ' A' ' 12' ' ' LEU . 70.2 t80 -52.58 -51.55 59.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.905 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.432 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 26.3 m-85 -77.39 -37.03 52.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.361 178.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.557 ' ND2' HG22 ' A' ' 39' ' ' VAL . 27.7 t-20 -50.06 -39.78 43.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.559 0.695 . . . . 0.0 109.804 178.431 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.66 -24.25 17.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.955 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 88.8 m-20 -78.3 -46.16 20.86 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.021 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -3.77 -119.47 0.0 OUTLIER Glycine 0 CA--C 1.521 0.429 0 CA-C-N 114.475 -1.238 . . . . 0.0 116.086 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.562 HG22 ' ND2' ' A' ' 35' ' ' ASN . 59.0 t -85.53 -55.16 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -175.133 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -92.22 29.33 1.68 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -176.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.65 161.71 54.25 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 119.973 -1.108 . . . . 0.0 112.063 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -87.53 99.29 11.93 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.614 ' CH2' HG12 ' A' ' 30' ' ' VAL . 8.4 m0 -101.04 119.08 38.22 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -177.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 74.3 p -110.81 137.73 48.09 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.512 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 8.4 t80 -114.61 144.73 42.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 0.0 111.494 -178.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.655 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.2 t70 -123.49 84.38 2.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.434 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 17.6 m-20 -47.88 -33.96 8.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.376 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.655 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.11 -34.1 20.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.05 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 75.5 p -125.26 16.19 8.37 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' B' ' 50' ' ' LYS . 8.2 mmmt 48.79 35.55 6.63 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.734 0.302 . . . . 0.0 110.633 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.807 HG23 ' O ' ' A' ' 4' ' ' LYS . 96.1 m -125.28 142.0 51.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.084 0.468 . . . . 0.0 111.708 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.512 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 6.6 m-85 -107.63 139.15 42.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.392 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -116.24 125.72 52.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.198 0.523 . . . . 0.0 111.012 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.5 t -113.89 119.25 60.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.149 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.587 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 8.7 m -100.43 110.12 22.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.526 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.512 ' OE1' ' HA2' ' A' ' 9' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.142 -0.933 . . . . 0.0 112.268 -178.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 . . . . . 0 N--CA 1.456 -0.164 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -130.48 147.51 52.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.696 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.507 ' O ' HG23 ' B' ' 51' ' ' THR . 7.1 ttpm? -104.29 112.43 25.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.755 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.606 ' HB ' HG23 ' A' ' 16' ' ' THR . 68.0 t -95.68 131.51 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.18 0.514 . . . . 0.0 110.024 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.705 HG22 ' OD1' ' A' ' 8' ' ' ASN . 57.8 mt -109.82 128.58 65.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.686 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.48 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 13.6 mt -107.64 96.05 6.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.733 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.712 ' O ' ' HA ' ' B' ' 55' ' ' THR . 3.3 m120 -105.75 111.1 23.63 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.932 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.08 -166.04 13.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.739 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -83.72 -55.97 3.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.029 0.442 . . . . 0.0 110.09 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.3 p -100.66 -2.66 32.1 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.242 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.989 HD13 ' HB ' ' B' ' 18' ' ' THR . 20.5 tp -136.84 135.55 38.0 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.053 0.454 . . . . 0.0 111.406 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.461 ' H ' HD12 ' A' ' 12' ' ' LEU . 50.3 mtmt -145.57 147.84 32.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.493 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.53 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.99 -170.76 42.05 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.007 -1.092 . . . . 0.0 113.537 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 51.4 mp0 -138.9 150.06 45.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.734 0.302 . . . . 0.0 110.522 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.743 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -151.18 169.01 22.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 -179.514 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 4' ' ' LYS . 64.3 p -143.59 122.28 12.59 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.988 ' HB ' HD13 ' B' ' 12' ' ' LEU . 14.9 t -111.37 146.06 37.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.918 178.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -107.06 117.83 35.09 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.703 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -148.4 150.49 33.62 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.126 0.488 . . . . 0.0 111.855 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.7 t -50.84 -24.49 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.952 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.428 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -160.33 176.3 11.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.838 0.351 . . . . 0.0 111.605 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.34 -41.81 90.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.51 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.22 -53.12 58.07 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.836 ' O ' HG23 ' A' ' 29' ' ' VAL . 59.1 p -53.23 -46.18 69.03 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.834 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -58.16 -51.86 67.96 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 2.7 tm-20 -53.03 -46.8 68.61 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.378 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -64.55 -49.57 70.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.409 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 25' ' ' THR . 67.3 t -54.59 -41.34 54.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.865 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 26' ' ' ALA . 65.3 t -62.02 -45.91 97.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.482 178.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 10.9 mmtm -49.41 -49.02 46.67 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.06 0.457 . . . . 0.0 110.147 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.401 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 35.5 tp60 -59.27 -39.7 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.197 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.862 ' CG ' HD23 ' B' ' 12' ' ' LEU . 40.2 t80 -51.82 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.972 179.269 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 28.1 m-85 -67.81 -38.86 83.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.019 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.575 HD22 HG22 ' B' ' 39' ' ' VAL . 25.4 t-20 -50.53 -37.96 42.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.471 0.653 . . . . 0.0 109.731 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.22 -23.88 17.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.31 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.441 ' O ' ' HA3' ' A' ' 41' ' ' GLY . 85.3 m-20 -82.22 -43.47 17.59 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.914 0.387 . . . . 0.0 110.237 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.452 ' HA2' ' CB ' ' B' ' 34' ' ' PHE . . . -13.91 -114.19 0.0 OUTLIER Glycine 0 CA--C 1.519 0.308 0 N-CA-C 116.663 1.425 . . . . 0.0 116.663 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.565 HG22 HD22 ' B' ' 35' ' ' ASN . 98.3 t -77.54 -55.52 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -176.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.35 24.92 3.63 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' A' ' 37' ' ' ASN . . . -63.31 141.95 46.67 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.124 -1.036 . . . . 0.0 112.256 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -87.79 103.16 15.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.7 0.286 . . . . 0.0 110.281 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.809 ' CD1' HG13 ' A' ' 54' ' ' VAL . 3.7 m0 -120.81 148.83 43.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.056 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.5 p -118.05 146.96 43.7 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 10.0 t80 -111.6 142.83 43.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.378 . . . . 0.0 111.716 -179.043 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -123.02 85.54 2.44 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.63 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.422 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 12.2 m-20 -46.61 -38.79 10.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.748 -179.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.89 -32.53 14.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.147 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.7 p -128.4 12.75 6.51 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 mttp 49.14 34.32 5.82 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.89 0.376 . . . . 0.0 110.545 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.509 HG23 ' O ' ' B' ' 4' ' ' LYS . 86.6 m -118.24 141.64 48.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.527 -179.203 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.1 m-85 -113.36 147.5 37.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.112 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -122.58 128.61 50.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.982 0.42 . . . . 0.0 110.998 178.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.809 HG13 ' CD1' ' A' ' 43' ' ' TRP . 67.9 t -104.07 104.46 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.325 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.711 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 25.0 m -100.68 118.14 36.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.406 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.913 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.865 0.364 . . . . 0.0 111.47 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -108.79 146.17 34.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.165 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -130.41 147.57 52.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.663 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.509 ' O ' HG23 ' A' ' 51' ' ' THR . 7.1 ttpm? -104.34 112.36 25.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.727 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.612 ' HB ' HG23 ' B' ' 16' ' ' THR . 67.5 t -95.57 131.58 41.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.156 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.701 HG22 ' OD1' ' B' ' 8' ' ' ASN . 57.9 mt -109.82 128.51 65.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.644 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 13.6 mt -107.61 96.21 6.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.68 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.711 ' O ' ' HA ' ' A' ' 55' ' ' THR . 3.3 m120 -105.88 111.04 23.54 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.931 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.06 -166.01 13.32 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.833 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -83.76 -55.79 4.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.136 0.493 . . . . 0.0 110.19 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 10.4 p -100.74 -2.7 31.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.316 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.988 HD13 ' HB ' ' A' ' 18' ' ' THR . 20.4 tp -136.83 135.6 38.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.064 0.459 . . . . 0.0 111.352 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.463 ' H ' HD12 ' B' ' 12' ' ' LEU . 50.5 mtmt -145.58 147.86 32.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.421 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.532 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.96 -170.82 42.15 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.064 -1.065 . . . . 0.0 113.625 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 51.4 mp0 -138.84 150.02 45.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.806 0.336 . . . . 0.0 110.541 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.748 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -151.09 169.09 22.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.919 -179.55 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.499 HG22 ' HA ' ' B' ' 4' ' ' LYS . 64.7 p -143.64 122.28 12.55 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.989 ' HB ' HD13 ' A' ' 12' ' ' LEU . 14.9 t -111.41 146.04 37.87 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.844 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -107.07 117.91 35.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.614 0.245 . . . . 0.0 110.354 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.701 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -148.36 150.55 33.77 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.13 0.49 . . . . 0.0 111.817 -179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 38.8 t -50.94 -24.57 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.894 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.429 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -160.25 176.35 11.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.8 0.333 . . . . 0.0 111.527 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.69 90.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.493 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.24 -53.09 58.46 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.837 ' O ' HG23 ' B' ' 29' ' ' VAL . 58.2 p -53.35 -46.07 69.38 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.839 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -58.2 -51.85 68.02 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 2.6 tm-20 -53.04 -46.73 68.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.509 178.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -64.56 -49.67 70.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.402 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.837 HG23 ' O ' ' B' ' 25' ' ' THR . 66.8 t -54.54 -41.19 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.921 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.839 HG23 ' O ' ' B' ' 26' ' ' ALA . 66.7 t -62.24 -45.72 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.453 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 10.9 mmtm -49.6 -48.99 48.53 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.92 0.391 . . . . 0.0 109.964 179.159 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.403 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 35.7 tp60 -59.31 -39.67 83.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.198 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.86 ' CG ' HD23 ' A' ' 12' ' ' LEU . 40.0 t80 -51.83 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.99 179.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.48 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 28.1 m-85 -67.86 -38.87 83.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.012 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.565 HD22 HG22 ' A' ' 39' ' ' VAL . 25.4 t-20 -50.6 -37.94 42.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.535 0.683 . . . . 0.0 109.759 178.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.19 -23.77 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.717 -1.129 . . . . 0.0 112.399 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.441 ' O ' ' HA3' ' B' ' 41' ' ' GLY . 85.6 m-20 -82.24 -43.47 17.56 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.941 0.401 . . . . 0.0 110.187 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.458 ' HA2' ' CB ' ' A' ' 34' ' ' PHE . . . -13.92 -114.16 0.0 OUTLIER Glycine 0 C--N 1.332 0.343 0 N-CA-C 116.687 1.435 . . . . 0.0 116.687 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.575 HG22 HD22 ' A' ' 35' ' ' ASN . 97.6 t -77.54 -55.65 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -176.199 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.28 24.88 3.61 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' B' ' 37' ' ' ASN . . . -63.3 141.9 46.61 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.104 -1.046 . . . . 0.0 112.36 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -87.68 103.2 15.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.656 0.265 . . . . 0.0 110.309 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.812 ' CD1' HG13 ' B' ' 54' ' ' VAL . 3.7 m0 -120.8 148.88 43.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.092 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -118.08 146.95 43.73 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 10.0 t80 -111.57 142.87 43.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 111.667 -179.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -122.98 85.38 2.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.646 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.42 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 12.2 m-20 -46.49 -38.86 9.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.713 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.97 -32.59 15.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 67.7 p -128.19 12.71 6.62 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 16.8 mttp 49.11 34.31 5.71 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.034 0.445 . . . . 0.0 110.606 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 4' ' ' LYS . 85.9 m -118.23 141.63 48.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.486 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.505 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.1 m-85 -113.25 147.55 37.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.122 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -122.6 128.64 50.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.997 0.427 . . . . 0.0 111.069 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.812 HG13 ' CD1' ' B' ' 43' ' ' TRP . 71.7 t -104.12 104.56 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.282 179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.712 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 25.3 m -100.71 118.11 36.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.422 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.821 -179.809 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 . . . . . 0 N--CA 1.455 -0.177 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.506 ' CD2' ' HB3' ' B' ' 50' ' ' LYS . 21.8 m-85 -124.88 143.69 50.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.662 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.676 ' O ' HG23 ' B' ' 51' ' ' THR . 87.8 tttt -109.79 111.75 23.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.547 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.87 HG21 HG21 ' A' ' 30' ' ' VAL . 57.5 t -94.98 134.83 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.102 0.477 . . . . 0.0 110.473 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.3 mt -107.16 122.73 61.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.865 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.497 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 18.8 mt -101.22 86.35 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.287 0.565 . . . . 0.0 109.817 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.64 ' O ' ' HA ' ' B' ' 55' ' ' THR . 32.7 t-20 -92.06 100.98 13.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.357 -178.147 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.0 153.92 16.69 Favored Glycine 0 N--CA 1.453 -0.168 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.009 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -54.3 -52.95 59.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.86 0.362 . . . . 0.0 111.616 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.626 ' HB ' HG11 ' B' ' 29' ' ' VAL . 10.4 p -96.64 -9.61 28.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.606 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.81 HD13 ' HB ' ' B' ' 18' ' ' THR . 12.0 tp -134.5 134.79 41.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.608 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.546 ' H ' HD12 ' A' ' 12' ' ' LEU . 36.8 mtmm -144.04 142.68 30.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.503 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.525 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.94 -166.77 35.48 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.27 -0.967 . . . . 0.0 113.265 -179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -147.97 143.76 27.52 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.32 0.581 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.774 HG23 ' HB ' ' A' ' 5' ' ' VAL . 4.7 t -138.97 169.23 18.17 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.168 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.0 p -143.33 121.3 12.05 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.809 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.1 t -110.85 146.6 36.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.459 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -107.63 120.17 41.48 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.711 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -149.22 152.23 35.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.218 0.532 . . . . 0.0 111.904 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.3 t -50.72 -26.08 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.749 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.637 ' OD1' HG23 ' A' ' 25' ' ' THR . 58.9 p30 -159.57 175.5 13.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 111.367 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.52 -41.62 81.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.688 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.09 -54.95 29.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.89 ' O ' HG23 ' A' ' 29' ' ' VAL . 41.8 p -51.53 -45.7 63.03 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.262 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.74 -53.06 62.42 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 8.9 tm-20 -52.81 -46.58 67.75 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.37 179.058 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -62.48 -46.23 89.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.033 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 25' ' ' THR . 57.6 t -58.06 -38.51 67.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.015 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.87 HG21 HG21 ' A' ' 5' ' ' VAL . 65.7 t -64.62 -47.81 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.448 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.778 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 3.7 mmmp? -49.62 -51.24 38.98 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.007 0.432 . . . . 0.0 110.096 178.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.417 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 31.0 tp60 -58.45 -38.58 77.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.02 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.652 ' CD2' HD23 ' B' ' 12' ' ' LEU . 24.4 t80 -51.14 -67.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.012 179.297 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 28.6 m-85 -65.09 -37.24 86.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.641 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.642 ' ND2' HG22 ' B' ' 39' ' ' VAL . 29.8 t-20 -52.12 -38.51 57.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.547 0.689 . . . . 0.0 109.638 178.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -94.23 -25.64 16.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.396 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 38' ' ' GLY . 84.8 m-20 -79.22 -42.59 25.63 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.074 0.464 . . . . 0.0 110.042 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -8.51 -115.51 0.0 OUTLIER Glycine 0 CA--C 1.52 0.401 0 CA-C-N 114.499 -1.228 . . . . 0.0 115.896 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.643 HG22 ' ND2' ' B' ' 35' ' ' ASN . 95.3 t -80.33 -55.49 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 -176.038 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.75 26.23 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.74 143.49 46.85 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.037 -1.078 . . . . 0.0 112.426 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -79.74 96.59 6.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.74 0.305 . . . . 0.0 110.295 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.783 ' CH2' ' HD2' ' B' ' 31' ' ' LYS . 6.6 m0 -110.14 134.73 51.9 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -178.591 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.0 p -111.54 141.48 45.06 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.498 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 19.3 t80 -111.38 144.42 40.61 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.267 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.478 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.2 t0 -123.77 81.91 1.96 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.011 178.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.23 -36.97 6.6 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.074 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.478 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.98 -31.99 14.03 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.5 p -128.75 12.96 6.36 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.504 ' HB3' ' CD2' ' B' ' 3' ' ' TYR . 3.8 mppt? 49.27 33.84 5.62 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.007 0.432 . . . . 0.0 110.707 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.676 HG23 ' O ' ' B' ' 4' ' ' LYS . 88.8 m -117.29 135.22 53.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.281 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 2.8 m-85 -108.27 148.69 29.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.962 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -121.28 112.79 19.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.225 0.536 . . . . 0.0 111.914 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.8 t -91.16 107.89 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.999 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.637 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 34.7 m -104.23 119.58 39.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.763 -178.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.152 -0.927 . . . . 0.0 110.892 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.839 0.352 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -101.89 140.96 35.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.105 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.504 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 21.3 m-85 -124.92 143.64 50.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.705 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.676 ' O ' HG23 ' A' ' 51' ' ' THR . 87.8 tttt -109.73 111.61 23.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.544 -178.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.889 HG21 HG21 ' B' ' 30' ' ' VAL . 57.5 t -94.96 134.91 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.141 0.496 . . . . 0.0 110.466 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 72.1 mt -107.24 122.63 61.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.818 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 18.6 mt -101.09 86.26 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.285 0.564 . . . . 0.0 109.904 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.637 ' O ' ' HA ' ' A' ' 55' ' ' THR . 32.7 t-20 -92.1 101.17 13.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.255 -178.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.23 153.85 16.7 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.97 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -54.13 -53.16 57.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 111.561 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.619 ' HB ' HG11 ' A' ' 29' ' ' VAL . 10.7 p -96.49 -9.6 29.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.66 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.809 HD13 ' HB ' ' A' ' 18' ' ' THR . 11.8 tp -134.54 134.95 41.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.499 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.542 ' H ' HD12 ' B' ' 12' ' ' LEU . 36.8 mtmm -144.07 142.65 30.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.536 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.526 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.93 -166.79 35.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.234 -0.984 . . . . 0.0 113.162 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -147.93 143.77 27.57 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.244 0.545 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.774 ' OG1' HD11 ' A' ' 12' ' ' LEU . 4.8 t -138.97 169.24 18.15 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.146 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 68.7 p -143.29 121.22 12.02 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.81 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.1 t -110.81 146.53 36.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.35 178.502 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -107.6 120.15 41.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.706 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -149.23 152.12 35.43 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.249 0.547 . . . . 0.0 111.891 -179.404 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -50.55 -26.12 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.809 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.631 ' OD1' HG23 ' B' ' 25' ' ' THR . 58.9 p30 -159.54 175.5 13.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.946 0.403 . . . . 0.0 111.449 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.46 -41.69 81.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.754 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.97 -54.93 30.66 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.892 ' O ' HG23 ' B' ' 29' ' ' VAL . 41.7 p -51.52 -45.72 63.01 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.317 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.657 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.78 -53.11 61.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 8.9 tm-20 -52.75 -46.49 67.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.414 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -62.62 -46.26 89.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.931 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.892 HG23 ' O ' ' B' ' 25' ' ' THR . 57.6 t -58.02 -38.57 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.016 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.889 HG21 HG21 ' B' ' 5' ' ' VAL . 66.0 t -64.6 -47.79 87.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.783 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 3.7 mmmp? -49.62 -51.4 37.89 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.022 0.439 . . . . 0.0 110.067 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.419 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 30.9 tp60 -58.41 -38.39 77.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.078 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.653 ' CD2' HD23 ' A' ' 12' ' ' LEU . 24.5 t80 -51.34 -67.89 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.928 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.459 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 28.5 m-85 -65.07 -37.25 86.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.652 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.643 ' ND2' HG22 ' A' ' 39' ' ' VAL . 29.8 t-20 -52.06 -38.58 57.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.512 0.672 . . . . 0.0 109.546 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -94.3 -25.45 17.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.781 -1.099 . . . . 0.0 112.452 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' B' ' 38' ' ' GLY . 84.7 m-20 -79.33 -42.5 25.56 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.099 0.476 . . . . 0.0 110.087 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -8.68 -115.25 0.0 OUTLIER Glycine 0 CA--C 1.52 0.378 0 CA-C-N 114.506 -1.224 . . . . 0.0 116.029 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.642 HG22 ' ND2' ' A' ' 35' ' ' ASN . 96.6 t -80.52 -55.48 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 -176.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.73 26.1 2.85 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -177.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.63 143.29 46.67 Favored Glycine 0 CA--C 1.522 0.511 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.413 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -79.51 96.54 6.13 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.747 0.308 . . . . 0.0 110.371 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.778 ' CH2' ' HD2' ' A' ' 31' ' ' LYS . 6.7 m0 -110.16 134.79 51.84 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.536 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.403 ' OG1' ' OG1' ' B' ' 53' ' ' THR . 68.6 p -111.52 141.65 44.81 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.501 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 19.2 t80 -111.52 144.35 40.89 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.479 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.3 t0 -123.6 81.77 1.94 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.065 178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.09 -37.07 6.37 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.113 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.479 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.84 -32.07 13.37 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.6 p -128.64 12.77 6.39 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 3.8 mppt? 49.22 34.08 5.75 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.063 0.459 . . . . 0.0 110.592 -179.076 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 4' ' ' LYS . 88.5 m -117.34 135.28 53.96 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.269 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.501 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 2.8 m-85 -108.38 148.76 29.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.911 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.403 ' OG1' ' OG1' ' B' ' 44' ' ' THR . 3.1 p -121.26 112.64 18.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.247 0.546 . . . . 0.0 111.965 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.7 t -91.08 107.88 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.975 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.64 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 35.3 m -104.22 119.71 39.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.668 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.946 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 N--CA 1.456 -0.152 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.44 ' CE2' ' HD2' ' B' ' 50' ' ' LYS . 2.6 m-85 -128.95 148.3 50.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.842 0.353 . . . . 0.0 111.007 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.788 ' O ' HG23 ' B' ' 51' ' ' THR . 4.8 ttmp? -106.81 109.2 21.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.643 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.712 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.6 t -94.54 129.21 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.264 0.554 . . . . 0.0 111.344 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.42 HG13 ' CG2' ' B' ' 51' ' ' THR . 76.5 mt -100.8 116.33 44.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.361 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.452 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.8 mt -95.06 85.48 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.792 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.618 ' O ' ' HA ' ' B' ' 55' ' ' THR . 33.7 t-20 -96.8 107.25 19.7 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.736 -178.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.79 -165.92 14.58 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.359 -0.924 . . . . 0.0 112.621 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -75.35 -58.12 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.422 ' OG1' HG13 ' B' ' 29' ' ' VAL . 11.5 p -109.66 10.32 24.91 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.228 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.014 HD13 ' HB ' ' B' ' 18' ' ' THR . 24.4 tp -138.44 138.93 38.61 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.061 0.458 . . . . 0.0 111.457 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.503 ' H ' HD12 ' A' ' 12' ' ' LEU . 36.0 mtmm -145.29 145.43 31.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.473 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.46 -173.42 43.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.151 -1.023 . . . . 0.0 113.305 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -141.25 136.67 31.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.9 0.381 . . . . 0.0 110.459 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.787 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -134.9 167.66 20.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.103 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.462 HG22 ' HA ' ' A' ' 4' ' ' LYS . 58.6 p -143.54 118.68 10.11 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -178.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 1.006 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.4 t -107.87 146.28 32.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.708 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -105.3 116.0 31.21 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.62 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -146.81 149.45 33.35 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.188 0.518 . . . . 0.0 111.956 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.12 -36.51 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.15 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.659 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -145.15 171.99 13.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.856 0.36 . . . . 0.0 111.282 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.8 86.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.652 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.51 -54.23 43.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.086 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.888 ' O ' HG23 ' A' ' 29' ' ' VAL . 75.6 p -52.0 -46.11 64.79 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.338 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.33 -53.03 62.86 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.212 178.156 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -51.35 -46.89 62.85 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.218 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -63.39 -46.9 84.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.9 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 25' ' ' THR . 92.5 t -55.1 -43.43 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.133 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 26' ' ' ALA . 40.9 t -64.53 -47.35 89.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 57.9 mtpt -51.76 -46.13 63.98 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.061 178.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.448 ' NE2' ' OD2' ' A' ' 36' ' ' ASP . 35.7 tp60 -59.85 -38.65 82.7 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.948 ' CG ' HD23 ' B' ' 12' ' ' LEU . 60.8 t80 -52.59 -65.52 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.927 178.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.445 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 27.7 m-85 -65.45 -38.22 89.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.565 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.445 ' ND2' HG21 ' B' ' 39' ' ' VAL . 31.6 t-20 -52.04 -38.43 56.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.487 0.66 . . . . 0.0 109.949 178.538 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.456 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 58.3 m-20 -94.04 -23.35 18.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.865 -1.062 . . . . 0.0 112.333 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.465 ' O ' ' C ' ' A' ' 38' ' ' GLY . 23.6 m120 -82.36 -46.36 13.67 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.534 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -9.23 -111.55 0.0 OUTLIER Glycine 0 CA--C 1.521 0.449 0 N-CA-C 115.631 1.013 . . . . 0.0 115.631 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 39' ' ' VAL . 19.7 t -110.39 5.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -176.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -125.15 10.79 8.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 118.568 0.622 . . . . 0.0 111.873 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.49 171.48 54.1 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.181 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -97.72 102.21 13.92 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.62 ' HH2' HG12 ' B' ' 30' ' ' VAL . 9.1 m95 -97.9 119.68 36.94 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.264 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.9 p -109.54 137.77 46.89 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.5 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 18.5 t80 -111.22 144.35 40.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.076 0.465 . . . . 0.0 111.946 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -123.58 81.7 1.93 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.283 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.92 -35.3 10.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.718 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.94 -33.45 17.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.972 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.9 p -128.29 12.25 6.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.681 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HD2' ' CE2' ' B' ' 3' ' ' TYR . 20.4 mtmt 52.81 31.69 11.01 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.802 0.334 . . . . 0.0 110.728 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.787 HG23 ' O ' ' B' ' 4' ' ' LYS . 93.6 m -117.49 140.52 49.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.088 0.471 . . . . 0.0 112.086 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.8 m-85 -110.33 142.45 41.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.068 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -117.45 101.56 8.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.186 0.517 . . . . 0.0 111.726 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.0 t -82.82 106.96 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.82 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.618 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 18.9 m -97.78 111.24 23.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.361 -179.079 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.456 ' HG2' ' HB2' ' A' ' 36' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.298 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 82.1 mtp . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.917 0.389 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -107.87 145.24 33.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.099 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.443 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 2.5 m-85 -128.87 148.26 50.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.836 0.35 . . . . 0.0 111.098 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.787 ' O ' HG23 ' A' ' 51' ' ' THR . 4.8 ttmp? -106.68 109.24 21.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.755 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.716 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.4 t -94.7 129.26 45.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.287 0.565 . . . . 0.0 111.269 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.423 HG13 ' CG2' ' A' ' 51' ' ' THR . 76.4 mt -100.81 116.39 44.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.244 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.7 mt -94.99 85.3 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.909 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.618 ' O ' ' HA ' ' A' ' 55' ' ' THR . 33.7 t-20 -96.73 107.18 19.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.774 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.74 -165.94 14.61 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.394 -0.908 . . . . 0.0 112.71 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -75.39 -58.14 3.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.822 0.344 . . . . 0.0 111.066 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.424 ' OG1' HG13 ' A' ' 29' ' ' VAL . 11.4 p -109.63 10.22 24.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 1.006 HD13 ' HB ' ' A' ' 18' ' ' THR . 24.1 tp -138.41 138.8 38.56 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.069 0.461 . . . . 0.0 111.464 -179.139 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.5 ' H ' HD12 ' B' ' 12' ' ' LEU . 36.0 mtmm -145.29 145.37 31.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.463 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.488 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.45 -173.49 43.87 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.109 -1.043 . . . . 0.0 113.24 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -141.11 136.63 32.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.853 0.359 . . . . 0.0 110.515 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.785 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -134.76 167.66 20.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.079 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.461 HG22 ' HA ' ' B' ' 4' ' ' LYS . 60.0 p -143.59 118.67 10.07 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' THR . . . . . 1.014 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.4 t -107.81 146.31 32.41 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.588 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -105.4 116.17 31.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -146.98 149.42 33.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.231 0.539 . . . . 0.0 111.911 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.14 -36.47 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.366 -0.833 . . . . 0.0 112.129 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.662 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -145.25 172.0 13.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.8 0.333 . . . . 0.0 111.199 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.19 -42.77 86.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.582 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.58 -54.26 42.31 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.889 ' O ' HG23 ' B' ' 29' ' ' VAL . 75.8 p -52.0 -46.01 64.74 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.33 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.667 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.28 -52.97 63.39 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.353 177.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -51.39 -47.08 63.02 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.15 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -63.12 -46.91 85.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.95 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.889 HG23 ' O ' ' B' ' 25' ' ' THR . 93.1 t -55.25 -43.16 69.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.307 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.667 HG23 ' O ' ' B' ' 26' ' ' ALA . 41.2 t -64.64 -47.37 89.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 58.1 mtpt -51.83 -46.05 64.18 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.136 178.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.448 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 35.7 tp60 -59.79 -38.72 82.71 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.947 ' CG ' HD23 ' A' ' 12' ' ' LEU . 60.6 t80 -52.45 -65.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.913 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.445 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 27.8 m-85 -65.5 -38.23 89.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.584 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.435 ' ND2' HG21 ' A' ' 39' ' ' VAL . 31.6 t-20 -52.02 -38.48 57.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.431 0.634 . . . . 0.0 109.797 178.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.465 ' HB2' ' HG2' ' B' ' 56' ' ' GLU . 58.0 m-20 -94.04 -23.37 18.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.91 -1.041 . . . . 0.0 112.3 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.469 ' O ' ' C ' ' B' ' 38' ' ' GLY . 23.5 m120 -82.19 -46.45 13.74 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.964 0.412 . . . . 0.0 110.557 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -9.26 -111.72 0.0 OUTLIER Glycine 0 CA--C 1.522 0.472 0 N-CA-C 115.709 1.043 . . . . 0.0 115.709 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.632 HG12 ' O ' ' B' ' 39' ' ' VAL . 19.0 t -110.19 5.4 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -176.29 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -125.27 11.03 8.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 118.651 0.659 . . . . 0.0 111.83 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.91 171.59 53.87 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.555 -0.831 . . . . 0.0 113.197 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -97.76 102.09 13.76 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.619 ' HH2' HG12 ' A' ' 30' ' ' VAL . 9.1 m95 -97.87 119.43 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -178.154 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.409 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 75.1 p -109.37 137.86 46.61 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.5 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 18.4 t80 -111.25 144.25 40.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.088 0.47 . . . . 0.0 111.862 -178.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -123.5 81.65 1.92 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.293 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.8 -35.46 10.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.712 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.85 -33.53 17.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.933 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.9 p -128.23 12.28 6.54 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.44 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 20.3 mtmt 52.68 31.79 10.88 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.787 0.327 . . . . 0.0 110.686 -179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.788 HG23 ' O ' ' A' ' 4' ' ' LYS . 94.1 m -117.59 140.5 49.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.208 0.528 . . . . 0.0 111.976 -178.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.8 m-85 -110.31 142.42 41.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.137 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.409 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 2.9 p -117.46 101.6 8.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.133 0.492 . . . . 0.0 111.801 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.8 106.83 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.874 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.618 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 18.0 m -97.52 111.16 23.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.482 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.465 ' HG2' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.305 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.589 0.233 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.479 ' CE2' ' HE2' ' B' ' 50' ' ' LYS . 10.1 m-85 -126.82 152.71 46.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.974 0.416 . . . . 0.0 111.032 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' B' ' 51' ' ' THR . 17.6 tppt? -98.59 128.95 45.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.569 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.732 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.9 t -119.04 119.02 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.492 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.559 ' HB ' HG22 ' B' ' 53' ' ' THR . 63.4 mt -102.72 124.51 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.131 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.468 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 17.4 mt -106.21 94.57 5.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.39 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.617 ' O ' ' HA ' ' B' ' 55' ' ' THR . 30.1 m120 -103.29 108.85 20.24 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.34 -0.391 . . . . 0.0 112.027 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.05 -165.64 14.36 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.234 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -78.28 -57.51 3.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.887 0.375 . . . . 0.0 111.001 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.55 ' OG1' HG13 ' B' ' 29' ' ' VAL . 7.7 p -106.61 7.25 30.57 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.572 -178.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.986 HD13 ' HB ' ' B' ' 18' ' ' THR . 22.4 tp -136.2 135.45 39.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.047 0.451 . . . . 0.0 111.45 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.439 ' H ' HD12 ' A' ' 12' ' ' LEU . 46.2 mmtm -137.9 137.9 38.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.033 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -173.84 -176.12 42.04 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 119.821 -1.18 . . . . 0.0 113.641 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -143.33 141.85 31.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.886 0.374 . . . . 0.0 110.497 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.732 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -141.64 168.87 18.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.01 -179.437 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.544 ' O ' HD12 ' B' ' 12' ' ' LEU . 70.2 p -143.74 122.85 12.88 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -179.072 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.988 ' HB ' HD13 ' B' ' 12' ' ' LEU . 10.8 t -109.45 146.36 34.65 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.144 179.146 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -106.1 117.17 33.35 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -148.56 149.57 31.81 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.212 0.529 . . . . 0.0 111.954 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -51.18 -36.51 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.141 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.562 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -146.18 172.68 13.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.818 0.342 . . . . 0.0 111.341 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.03 -43.17 86.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.572 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.22 -54.74 36.63 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.852 ' O ' HG23 ' A' ' 29' ' ' VAL . 77.6 p -52.4 -45.8 66.04 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.28 -53.39 58.84 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.09 178.006 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -49.37 -48.33 46.93 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.277 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.35 -46.71 87.44 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.077 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 25' ' ' THR . 89.0 t -55.2 -43.38 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.351 179.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.613 HG12 ' CH2' ' B' ' 43' ' ' TRP . 60.5 t -65.87 -49.31 77.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HA ' ' CH2' ' B' ' 43' ' ' TRP . 50.4 mtpt -53.88 -43.81 69.93 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.443 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -60.93 -37.8 83.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.431 0.634 . . . . 0.0 109.368 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.935 ' CG ' HD23 ' B' ' 12' ' ' LEU . 53.5 t80 -52.99 -64.29 0.87 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.851 179.064 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -67.73 -39.69 84.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.066 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.699 ' ND2' HG22 ' B' ' 39' ' ' VAL . 31.0 t-20 -51.31 -39.01 56.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.577 0.703 . . . . 0.0 109.756 178.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.409 ' CB ' ' OE2' ' A' ' 56' ' ' GLU . 1.3 m-20 -94.68 -25.59 16.66 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.637 -1.165 . . . . 0.0 112.727 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.505 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.0 m-20 -77.21 -39.24 49.4 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.983 0.42 . . . . 0.0 110.091 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.39 -116.88 0.0 OUTLIER Glycine 0 CA--C 1.521 0.466 0 CA-C-N 114.614 -1.175 . . . . 0.0 115.725 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.705 HG22 ' ND2' ' B' ' 35' ' ' ASN . 60.4 t -83.54 -55.64 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 -175.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -88.8 25.7 1.7 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -176.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.19 149.1 51.68 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 119.918 -1.134 . . . . 0.0 112.052 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -78.04 91.65 4.28 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.886 0.343 . . . . 0.0 110.274 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.611 ' CH2' HG12 ' B' ' 30' ' ' VAL . 8.6 m0 -101.57 125.04 48.16 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.6 p -107.82 139.95 41.65 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 13.0 t80 -112.67 141.04 46.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.111 0.481 . . . . 0.0 111.904 -178.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.402 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.9 t0 -123.61 82.92 2.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.267 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.05 -37.09 19.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.339 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.402 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -54.29 -32.49 56.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.54 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.8 p -115.5 7.76 15.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.672 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.481 ' HE2' ' CE2' ' B' ' 3' ' ' TYR . 11.9 mmmm 49.28 33.2 4.98 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.77 0.319 . . . . 0.0 110.715 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 90.9 m -125.18 153.55 42.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.147 0.499 . . . . 0.0 111.908 -178.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 1.9 m-85 -121.68 143.96 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.901 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.57 HG22 ' HB ' ' B' ' 6' ' ' ILE . 3.0 p -122.42 128.53 51.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.118 0.485 . . . . 0.0 111.577 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.9 t -103.68 104.17 16.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.678 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.617 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 26.5 m -95.43 112.2 23.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.988 -178.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.409 ' OE2' ' CB ' ' A' ' 36' ' ' ASP . 16.8 tp10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.111 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.726 0.298 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -106.89 139.88 40.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.607 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.481 ' CE2' ' HE2' ' A' ' 50' ' ' LYS . 10.0 m-85 -126.75 152.75 46.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.973 0.416 . . . . 0.0 111.086 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 51' ' ' THR . 17.6 tppt? -98.64 129.13 45.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.598 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.727 ' HB ' HG23 ' B' ' 16' ' ' THR . 62.1 t -119.17 118.99 59.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.481 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.57 ' HB ' HG22 ' A' ' 53' ' ' THR . 63.8 mt -102.62 124.37 56.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.283 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 17.5 mt -106.09 94.62 5.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.386 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.617 ' O ' ' HA ' ' A' ' 55' ' ' THR . 30.0 m120 -103.42 108.96 20.41 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.966 -179.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.92 -165.69 14.44 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.282 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -78.37 -57.37 3.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.851 0.358 . . . . 0.0 111.083 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.551 ' OG1' HG13 ' A' ' 29' ' ' VAL . 7.7 p -106.59 7.27 30.63 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.561 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.988 HD13 ' HB ' ' A' ' 18' ' ' THR . 22.8 tp -136.19 135.49 39.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.084 0.468 . . . . 0.0 111.488 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.437 ' H ' HD12 ' B' ' 12' ' ' LEU . 46.2 mmtm -137.92 137.88 38.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.015 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.452 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -173.86 -176.16 42.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 119.932 -1.128 . . . . 0.0 113.691 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -143.24 141.94 31.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.881 0.372 . . . . 0.0 110.488 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.727 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -141.7 168.84 18.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.987 -179.454 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.55 ' O ' HD12 ' A' ' 12' ' ' LEU . 70.7 p -143.78 122.97 12.95 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.986 ' HB ' HD13 ' A' ' 12' ' ' LEU . 10.7 t -109.55 146.26 34.96 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.102 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -106.0 117.15 33.29 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.625 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -148.48 149.62 31.98 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.233 0.54 . . . . 0.0 111.974 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -51.09 -36.56 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.166 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.564 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -146.21 172.7 13.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.818 0.342 . . . . 0.0 111.346 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.1 -43.1 86.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.528 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.11 -54.86 35.23 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.854 ' O ' HG23 ' B' ' 29' ' ' VAL . 77.1 p -52.42 -45.85 66.12 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.625 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -59.18 -53.34 59.38 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.194 177.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -49.37 -48.35 46.93 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.223 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.42 -46.64 87.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.121 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.854 HG23 ' O ' ' B' ' 25' ' ' THR . 89.0 t -55.29 -43.42 71.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.264 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.611 HG12 ' CH2' ' A' ' 43' ' ' TRP . 61.2 t -65.87 -49.28 78.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.437 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . 50.4 mtpt -53.7 -43.93 69.38 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.46 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -60.97 -37.87 83.93 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.937 ' CG ' HD23 ' A' ' 12' ' ' LEU . 53.2 t80 -52.83 -64.41 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.897 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -67.59 -39.82 84.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.132 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.705 ' ND2' HG22 ' A' ' 39' ' ' VAL . 30.9 t-20 -51.32 -38.92 55.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.596 0.712 . . . . 0.0 109.759 178.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.41 ' CB ' ' OE2' ' B' ' 56' ' ' GLU . 1.3 m-20 -94.67 -25.69 16.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.626 -1.17 . . . . 0.0 112.714 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' B' ' 38' ' ' GLY . 21.9 m120 -77.13 -39.27 49.92 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.03 0.443 . . . . 0.0 110.213 179.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.35 -116.77 0.0 OUTLIER Glycine 0 CA--C 1.521 0.461 0 CA-C-N 114.504 -1.226 . . . . 0.0 115.829 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.699 HG22 ' ND2' ' A' ' 35' ' ' ASN . 61.7 t -83.79 -55.57 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 -175.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -88.73 25.71 1.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.42 149.2 51.61 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 119.722 -1.227 . . . . 0.0 112.044 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -78.03 91.64 4.28 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.798 0.299 . . . . 0.0 110.353 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.613 ' CH2' HG12 ' A' ' 30' ' ' VAL . 8.7 m0 -101.53 125.12 48.13 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 72.2 p -107.77 139.98 41.52 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 12.9 t80 -112.7 141.07 46.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.042 0.449 . . . . 0.0 111.944 -178.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.401 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.9 t0 -123.66 82.98 2.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.158 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.99 -37.16 19.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.37 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.401 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -54.31 -32.48 56.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.566 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 77.2 p -115.44 7.67 15.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.678 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.479 ' HE2' ' CE2' ' A' ' 3' ' ' TYR . 11.9 mmmm 49.35 33.13 5.04 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.769 0.319 . . . . 0.0 110.751 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 91.0 m -125.18 153.51 42.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.173 0.511 . . . . 0.0 111.824 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 2.0 m-85 -121.66 143.91 49.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.917 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.559 HG22 ' HB ' ' A' ' 6' ' ' ILE . 3.0 p -122.36 128.52 51.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.116 0.484 . . . . 0.0 111.607 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.4 HG12 ' ND2' ' B' ' 37' ' ' ASN . 60.6 t -103.61 104.14 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.759 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.617 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 26.7 m -95.41 112.28 24.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.983 0.421 . . . . 0.0 111.959 -178.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.41 ' OE2' ' CB ' ' B' ' 36' ' ' ASP . 16.7 tp10 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.114 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.769 0.319 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.416 ' CE2' ' HE3' ' B' ' 50' ' ' LYS . 23.0 m-85 -123.59 145.06 49.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.762 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.775 ' O ' HG23 ' B' ' 51' ' ' THR . 53.6 tptt -102.08 103.59 14.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.169 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.645 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.1 t -94.39 124.01 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.328 0.585 . . . . 0.0 111.502 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.466 ' CD1' HG21 ' B' ' 51' ' ' THR . 73.4 mt -101.9 129.21 53.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.776 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mt -108.95 83.47 1.76 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.302 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.545 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.9 m120 -90.23 111.06 22.1 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.07 -168.95 14.89 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.127 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.476 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.3 mtmp? -82.08 -58.11 3.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.99 0.424 . . . . 0.0 110.435 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.432 ' OG1' HG13 ' B' ' 29' ' ' VAL . 6.8 p -100.22 0.04 39.6 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.641 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.989 HD13 ' HB ' ' B' ' 18' ' ' THR . 16.3 tp -137.53 137.67 38.85 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.534 ' H ' HD12 ' A' ' 12' ' ' LEU . 35.8 mtmm -144.97 144.74 31.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.902 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.543 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.4 -167.24 37.13 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 119.816 -1.183 . . . . 0.0 113.323 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.483 ' HB3' ' HE3' ' A' ' 4' ' ' LYS . 40.0 mt-10 -148.59 155.3 40.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 110.63 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.743 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -150.96 169.07 22.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.814 -179.67 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 4' ' ' LYS . 54.8 p -143.08 118.65 10.39 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.988 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.9 t -106.18 143.22 34.62 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.571 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -104.28 114.91 29.47 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.16 152.63 36.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.349 0.595 . . . . 0.0 112.145 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.5 t -51.06 -37.63 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.088 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.677 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -143.84 169.25 18.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.062 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.555 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -56.56 -41.72 77.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.569 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.01 -54.71 34.06 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.845 ' O ' HG23 ' A' ' 29' ' ' VAL . 74.4 p -52.47 -46.22 66.43 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.667 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -60.14 -52.13 66.63 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.136 178.101 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 89.3 tt0 -52.76 -48.74 66.57 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.712 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -57.67 -38.62 75.44 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.517 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.845 HG23 ' O ' ' A' ' 25' ' ' THR . 91.0 t -59.71 -37.27 70.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.407 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.522 HG12 ' HH2' ' B' ' 43' ' ' TRP . 20.6 t -66.21 -48.9 79.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.479 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.448 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 1.1 mptm? -48.05 -42.84 29.58 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.113 0.482 . . . . 0.0 110.131 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -69.42 -37.86 77.64 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.91 ' CG ' HD23 ' B' ' 12' ' ' LEU . 47.3 t80 -55.26 -56.77 16.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.242 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.467 ' CE2' HG12 ' A' ' 30' ' ' VAL . 25.1 m-85 -72.62 -42.27 64.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.575 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.569 HD22 HG21 ' B' ' 39' ' ' VAL . 14.8 t-20 -48.88 -38.16 21.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.502 0.667 . . . . 0.0 110.11 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.52 -23.32 17.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.596 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.458 ' O ' ' C ' ' A' ' 38' ' ' GLY . 88.1 m-20 -78.34 -46.67 19.47 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -3.98 -121.88 0.0 OUTLIER Glycine 0 C--N 1.333 0.373 0 CA-C-N 114.734 -1.121 . . . . 0.0 115.657 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 39' ' ' VAL . 43.5 t -111.66 4.08 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -176.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -125.0 13.75 8.45 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.872 -0.518 . . . . 0.0 112.215 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.45 178.62 51.6 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.911 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -97.28 100.97 12.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.818 0.342 . . . . 0.0 110.313 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.533 ' HH2' HG12 ' B' ' 30' ' ' VAL . 7.8 m0 -97.24 118.61 34.06 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.3 p -104.25 132.2 50.75 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 9.1 t80 -107.67 143.97 35.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 0.0 111.393 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -122.96 83.67 2.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.429 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 12.8 m-20 -47.62 -37.88 13.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.61 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.59 -32.12 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.139 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.4 p -128.24 15.12 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HE3' ' CE2' ' B' ' 3' ' ' TYR . 31.8 mmmt 49.06 34.13 5.42 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.979 0.418 . . . . 0.0 110.056 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.779 HG23 ' O ' ' B' ' 4' ' ' LYS . 86.7 m -113.19 141.7 46.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.836 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.552 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 96.7 m-85 -106.24 120.48 41.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.39 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -106.05 127.32 53.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.228 0.537 . . . . 0.0 111.624 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.6 t -113.97 112.77 41.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.488 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.548 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 10.0 m -99.67 113.88 26.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.023 0.44 . . . . 0.0 111.549 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.224 -0.893 . . . . 0.0 111.127 179.77 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.925 0.393 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -105.54 139.47 40.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.38 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.413 ' CE2' ' HE3' ' A' ' 50' ' ' LYS . 22.5 m-85 -123.44 145.08 49.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.901 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.779 ' O ' HG23 ' A' ' 51' ' ' THR . 53.6 tptt -102.22 103.63 14.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.084 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.643 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.5 t -94.27 124.05 46.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.292 0.567 . . . . 0.0 111.579 -179.334 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.464 ' CD1' HG21 ' A' ' 51' ' ' THR . 73.4 mt -101.97 129.2 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.728 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mt -108.92 83.56 1.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.355 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.548 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.8 m120 -90.31 111.17 22.27 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.03 -168.93 14.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.147 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.475 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.3 mtmp? -82.14 -58.05 3.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.004 0.431 . . . . 0.0 110.518 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.428 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 6.9 p -100.2 0.0 39.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.655 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.988 HD13 ' HB ' ' A' ' 18' ' ' THR . 16.3 tp -137.48 137.73 38.99 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.537 ' H ' HD12 ' B' ' 12' ' ' LEU . 35.8 mtmm -145.04 144.68 31.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.911 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.536 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.34 -167.3 37.26 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 119.868 -1.158 . . . . 0.0 113.347 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.472 ' HB3' ' HE3' ' B' ' 4' ' ' LYS . 40.1 mt-10 -148.54 155.36 41.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.033 0.444 . . . . 0.0 110.557 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.735 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -151.09 169.08 22.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.692 -179.717 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.486 HG22 ' HA ' ' B' ' 4' ' ' LYS . 56.5 p -143.01 118.55 10.37 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -178.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.989 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.9 t -106.12 143.21 34.57 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.646 178.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -104.25 114.86 29.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.508 0.194 . . . . 0.0 110.537 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -149.09 152.61 36.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.387 0.613 . . . . 0.0 112.169 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 20.7 t -51.09 -37.57 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.029 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.679 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -143.92 169.28 18.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.552 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -56.58 -41.76 77.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.632 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.93 -54.57 36.53 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.846 ' O ' HG23 ' B' ' 29' ' ' VAL . 75.4 p -52.51 -46.08 66.51 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -60.33 -52.06 66.88 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.164 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.44 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 89.3 tt0 -52.69 -48.71 66.36 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -57.71 -38.74 75.78 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.48 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.846 HG23 ' O ' ' B' ' 25' ' ' THR . 90.6 t -59.66 -37.22 69.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.37 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.533 HG12 ' HH2' ' A' ' 43' ' ' TRP . 20.5 t -66.17 -48.9 79.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.45 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 1.1 mptm? -48.13 -42.8 30.24 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.954 0.407 . . . . 0.0 110.068 178.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -69.41 -37.76 77.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.909 ' CG ' HD23 ' A' ' 12' ' ' LEU . 47.0 t80 -55.19 -56.91 14.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.199 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.464 ' CE2' HG12 ' B' ' 30' ' ' VAL . 25.0 m-85 -72.65 -42.25 64.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.595 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.57 HD22 HG21 ' A' ' 39' ' ' VAL . 14.8 t-20 -48.84 -38.16 21.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.392 0.615 . . . . 0.0 110.031 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.62 -23.28 17.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.93 -1.032 . . . . 0.0 112.572 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.462 ' O ' ' C ' ' B' ' 38' ' ' GLY . 88.0 m-20 -78.49 -46.39 19.75 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.11 -121.82 0.0 OUTLIER Glycine 0 C--N 1.333 0.373 0 CA-C-N 114.773 -1.103 . . . . 0.0 115.704 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.664 HG12 ' O ' ' B' ' 39' ' ' VAL . 43.7 t -111.75 4.11 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -176.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -125.07 13.71 8.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.849 -0.532 . . . . 0.0 112.13 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.41 178.68 51.64 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.978 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -97.35 101.06 12.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.867 0.365 . . . . 0.0 110.233 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.522 ' HH2' HG12 ' A' ' 30' ' ' VAL . 7.9 m0 -97.42 118.65 34.37 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -178.501 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 60.0 p -104.3 132.17 50.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.56 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.515 ' CD1' ' CD1' ' B' ' 52' ' ' PHE . 9.2 t80 -107.66 144.13 35.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.902 0.382 . . . . 0.0 111.239 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -123.11 83.68 2.16 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 12.9 m-20 -47.77 -37.71 14.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.556 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.74 -32.0 12.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.143 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.0 p -128.28 15.07 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.416 ' HE3' ' CE2' ' A' ' 3' ' ' TYR . 31.8 mmmt 48.92 34.25 5.28 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.072 0.463 . . . . 0.0 110.039 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.775 HG23 ' O ' ' A' ' 4' ' ' LYS . 87.5 m -113.22 141.69 46.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.799 -178.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.555 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 96.8 m-85 -106.16 120.35 41.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.487 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -106.07 127.3 53.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.309 0.576 . . . . 0.0 111.688 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.9 t -113.85 112.71 41.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.515 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 10.3 m -99.67 113.88 26.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.999 0.428 . . . . 0.0 111.574 -178.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.071 179.797 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 N--CA 1.456 -0.134 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -132.38 148.43 52.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.322 . . . . 0.0 110.86 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.496 ' NZ ' HG21 ' B' ' 51' ' ' THR . 28.9 ttpp -106.99 155.13 20.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.916 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.85 ' HB ' HG23 ' A' ' 16' ' ' THR . 55.0 t -137.2 128.18 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.29 0.567 . . . . 0.0 111.407 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.494 ' HB ' HG22 ' B' ' 53' ' ' THR . 70.9 mt -94.98 113.86 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.275 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.46 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.4 mt -94.33 85.31 4.57 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.628 ' O ' ' HA ' ' B' ' 55' ' ' THR . 30.8 t-20 -95.2 106.96 19.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.531 -177.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.488 ' HA2' ' HG2' ' B' ' 56' ' ' GLU . . . -115.18 -170.29 16.23 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.266 -0.969 . . . . 0.0 112.373 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' A' ' 10' ' ' LYS . 5.4 mtpm? -76.26 -56.2 4.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.042 0.449 . . . . 0.0 110.452 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.455 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 4.1 p -107.36 6.84 28.74 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.152 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.014 HD13 ' HB ' ' B' ' 18' ' ' THR . 22.8 tp -138.39 138.55 38.34 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.185 0.517 . . . . 0.0 111.474 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.511 ' H ' HD12 ' A' ' 12' ' ' LEU . 10.4 mtmp? -145.25 146.11 31.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.392 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.472 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 177.32 -166.47 37.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.206 -0.997 . . . . 0.0 113.281 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -146.76 156.65 43.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 110.63 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.85 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -151.12 169.17 22.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.541 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.452 ' O ' HD12 ' B' ' 12' ' ' LEU . 53.1 p -143.11 118.27 10.14 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.099 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 1.018 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.8 t -109.04 146.04 34.6 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.592 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -105.85 115.72 30.72 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.73 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -145.38 149.07 34.09 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 121.24 0.543 . . . . 0.0 111.732 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.3 t -50.88 -25.71 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.971 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.503 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -156.18 176.51 12.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.895 0.379 . . . . 0.0 111.4 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.81 96.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.395 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.04 -54.82 36.15 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.847 ' O ' HG23 ' A' ' 29' ' ' VAL . 57.0 p -50.8 -45.65 59.42 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.339 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.68 -53.58 56.32 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.087 178.008 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.36 -47.56 62.74 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.651 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.61 -45.26 93.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.562 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 25' ' ' THR . 88.7 t -58.94 -40.15 79.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.418 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 26' ' ' ALA . 58.1 t -64.76 -48.13 85.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.508 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 9.6 mtpm? -48.82 -51.26 30.4 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.024 0.44 . . . . 0.0 110.31 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.453 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 61.9 tt0 -60.3 -37.33 80.2 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.93 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.918 ' CG ' HD23 ' B' ' 12' ' ' LEU . 66.7 t80 -52.12 -55.77 18.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.812 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -72.1 -36.17 69.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.817 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.535 ' ND2' HG21 ' B' ' 39' ' ' VAL . 29.1 t-20 -50.06 -41.24 47.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.653 178.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -94.81 -22.76 17.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.816 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.8 m-20 -80.64 -46.68 15.25 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.079 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.86 -117.11 0.0 OUTLIER Glycine 0 CA--C 1.521 0.453 0 N-CA-C 115.539 0.975 . . . . 0.0 115.539 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.7 t -111.64 4.67 8.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.409 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -125.25 11.46 8.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 118.494 0.588 . . . . 0.0 112.091 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.62 176.13 54.22 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.993 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -94.52 98.62 10.97 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.717 0.294 . . . . 0.0 110.348 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.56 ' CH2' HG12 ' B' ' 30' ' ' VAL . 10.7 m95 -94.36 115.17 27.35 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.7 p -109.31 136.81 48.15 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.492 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 8.3 t80 -110.73 144.46 39.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 111.534 -178.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -123.22 82.42 2.0 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.696 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.437 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 14.7 m-20 -45.9 -35.22 4.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.796 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.69 -33.34 15.56 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.9 p -128.11 16.5 6.72 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm 48.18 36.16 6.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.916 0.389 . . . . 0.0 110.597 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.488 HG21 ' NZ ' ' B' ' 4' ' ' LYS . 93.9 m -127.24 140.13 52.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.594 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.492 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 6.3 m-85 -105.42 144.38 32.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.495 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.502 HG22 ' HB ' ' B' ' 6' ' ' ILE . 2.8 p -116.04 125.01 51.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.094 0.474 . . . . 0.0 110.75 178.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.403 HG12 ' OD1' ' A' ' 37' ' ' ASN . 44.6 t -108.37 111.69 37.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.325 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.632 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 23.2 m -102.03 113.96 27.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.745 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.491 ' HG2' ' HA2' ' B' ' 9' ' ' GLY . 19.1 pt-20 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.713 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.402 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 27.7 ttt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.869 0.366 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.402 ' N ' ' HG2' ' B' ' 1' ' ' MET . 8.2 tt0 -105.84 144.03 33.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.371 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -132.44 148.54 52.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.488 ' NZ ' HG21 ' A' ' 51' ' ' THR . 28.9 ttpp -107.04 155.17 20.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.918 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.846 ' HB ' HG23 ' B' ' 16' ' ' THR . 55.3 t -137.27 128.15 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.246 0.546 . . . . 0.0 111.377 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.502 ' HB ' HG22 ' A' ' 53' ' ' THR . 70.9 mt -94.9 113.93 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.24 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mt -94.37 85.26 4.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.632 ' O ' ' HA ' ' A' ' 55' ' ' THR . 30.9 t-20 -95.18 106.88 18.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.5 -177.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.491 ' HA2' ' HG2' ' A' ' 56' ' ' GLU . . . -115.19 -170.34 16.24 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.278 -0.963 . . . . 0.0 112.354 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' B' ' 10' ' ' LYS . 5.4 mtpm? -76.23 -56.31 4.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.002 0.43 . . . . 0.0 110.403 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.454 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 4.1 p -107.2 6.69 28.93 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.2 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 1.018 HD13 ' HB ' ' A' ' 18' ' ' THR . 23.1 tp -138.24 138.6 38.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.145 0.498 . . . . 0.0 111.515 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.505 ' H ' HD12 ' B' ' 12' ' ' LEU . 10.4 mtmp? -145.3 146.08 31.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.391 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 177.37 -166.41 36.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.175 -1.012 . . . . 0.0 113.201 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -146.84 156.6 43.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 0.0 110.628 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.846 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.1 OUTLIER -151.05 169.2 22.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.976 -179.551 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.455 ' O ' HD12 ' A' ' 12' ' ' LEU . 55.0 p -143.09 118.36 10.2 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' THR . . . . . 1.014 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.9 t -109.15 145.94 34.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.569 178.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -105.77 115.66 30.61 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.728 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -145.32 149.04 34.11 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 121.144 0.497 . . . . 0.0 111.77 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.3 t -50.94 -25.64 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.981 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.501 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -156.19 176.49 12.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.926 0.393 . . . . 0.0 111.336 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.73 95.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.469 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 -54.69 37.35 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.844 ' O ' HG23 ' B' ' 29' ' ' VAL . 57.3 p -50.94 -45.54 60.62 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.369 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.651 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.65 -53.6 56.17 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.176 177.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.23 -47.61 62.32 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.693 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.67 -45.15 94.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.566 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.844 HG23 ' O ' ' B' ' 25' ' ' THR . 86.5 t -59.08 -40.07 79.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.401 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.651 HG23 ' O ' ' B' ' 26' ' ' ALA . 58.2 t -64.83 -48.06 85.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.51 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 9.6 mtpm? -48.82 -51.3 30.17 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.086 0.469 . . . . 0.0 110.294 178.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.449 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 61.9 tt0 -60.26 -37.46 80.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.79 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.916 ' CG ' HD23 ' A' ' 12' ' ' LEU . 66.5 t80 -52.05 -55.73 18.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.788 178.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -72.18 -36.13 69.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.807 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.534 ' ND2' HG21 ' A' ' 39' ' ' VAL . 29.1 t-20 -50.0 -41.37 46.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.637 178.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -94.72 -22.82 17.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.737 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.497 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.8 m-20 -80.56 -46.63 15.43 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.108 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.89 -117.16 0.0 OUTLIER Glycine 0 C--N 1.334 0.462 0 CA-C-N 114.995 -1.002 . . . . 0.0 115.591 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.7 t -111.55 4.65 8.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -176.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -125.29 11.47 8.11 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.799 -0.563 . . . . 0.0 112.006 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.6 176.02 54.24 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 120.493 -0.861 . . . . 0.0 113.019 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -94.43 98.6 10.99 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.748 0.309 . . . . 0.0 110.321 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.558 ' CH2' HG12 ' A' ' 30' ' ' VAL . 10.7 m95 -94.4 115.16 27.32 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.414 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 62.8 p -109.25 136.77 48.17 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.127 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.493 ' CD1' ' CD2' ' B' ' 52' ' ' PHE . 8.2 t80 -110.71 144.51 39.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 111.531 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -123.24 82.39 1.99 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.735 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.439 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 14.8 m-20 -45.88 -35.33 4.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.721 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.65 -33.28 15.14 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -128.12 16.41 6.71 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm 48.27 36.16 6.51 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.919 0.39 . . . . 0.0 110.611 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.496 HG21 ' NZ ' ' A' ' 4' ' ' LYS . 93.9 m -127.17 140.16 52.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.54 -179.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.493 ' CD2' ' CD1' ' B' ' 45' ' ' TYR . 6.4 m-85 -105.47 144.49 32.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.47 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.494 HG22 ' HB ' ' A' ' 6' ' ' ILE . 2.8 p -116.15 124.96 51.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.056 0.455 . . . . 0.0 110.769 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.406 HG12 ' OD1' ' B' ' 37' ' ' ASN . 44.5 t -108.22 111.77 37.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.255 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.628 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 22.9 m -102.04 113.93 27.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.773 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.488 ' HG2' ' HA2' ' A' ' 9' ' ' GLY . 19.2 pt-20 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.834 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 . . . . . 0 N--CA 1.461 0.107 0 CA-C-O 120.88 0.371 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 1.3 m-85 -122.31 145.63 48.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.515 ' O ' ' HA ' ' B' ' 51' ' ' THR . 24.3 ttmm -110.97 107.65 17.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 111.455 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.822 ' HB ' HG23 ' A' ' 16' ' ' THR . 98.5 t -94.04 117.6 38.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.232 0.539 . . . . 0.0 110.585 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.773 HG22 ' OD1' ' A' ' 8' ' ' ASN . 65.4 mt -94.42 130.0 43.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.36 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.426 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.1 mt -107.99 92.26 3.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.431 -178.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.773 ' OD1' HG22 ' A' ' 6' ' ' ILE . 6.0 m120 -97.21 106.67 19.03 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.907 -179.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.87 -171.18 18.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.297 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.469 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.5 mtmp? -76.64 -55.5 5.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.904 0.383 . . . . 0.0 110.77 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.486 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 3.2 p -107.62 6.53 27.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.187 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.9 HD23 ' CG ' ' B' ' 33' ' ' PHE . 19.0 tp -138.36 138.68 38.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.095 0.474 . . . . 0.0 110.724 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.55 ' H ' HD12 ' A' ' 12' ' ' LEU . 95.2 mttt -145.0 144.06 30.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.239 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.67 -168.24 37.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 119.982 -1.104 . . . . 0.0 113.373 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -150.17 143.08 24.8 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.341 0.591 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.822 HG23 ' HB ' ' A' ' 5' ' ' VAL . 4.0 t -136.02 169.08 18.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.773 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.408 ' O ' HD12 ' B' ' 12' ' ' LEU . 76.9 p -142.96 119.24 10.85 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.862 ' HB ' HD13 ' B' ' 12' ' ' LEU . 14.3 t -109.68 144.44 38.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.577 178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -106.82 113.84 27.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.608 0.242 . . . . 0.0 110.441 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.705 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -146.21 152.75 39.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.21 0.529 . . . . 0.0 112.053 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.414 HG23 ' H ' ' A' ' 21' ' ' VAL . 17.1 t -50.59 -36.38 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.893 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.456 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 4.0 p-10 -142.55 166.92 23.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.2 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.532 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -57.1 -41.59 79.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.54 -54.81 30.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.89 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.907 ' O ' HG23 ' A' ' 29' ' ' VAL . 20.6 p -52.89 -44.03 66.6 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.416 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.705 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -61.38 -50.75 71.62 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.107 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.49 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 89.3 tt0 -54.99 -48.71 72.95 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.932 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -58.52 -39.35 79.89 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.353 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 25' ' ' THR . 97.2 t -59.95 -37.05 70.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.164 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.682 HG21 HG21 ' A' ' 5' ' ' VAL . 15.3 t -65.51 -47.88 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.419 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -47.96 -44.1 29.97 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.144 0.497 . . . . 0.0 109.911 178.778 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.632 HE22 ' CD ' ' A' ' 56' ' ' GLU . 11.7 tm0? -65.66 -37.0 85.3 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.906 ' CG ' HD23 ' B' ' 12' ' ' LEU . 60.8 t80 -55.8 -58.11 9.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.238 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.494 ' CE2' HG12 ' A' ' 30' ' ' VAL . 28.1 m-85 -72.51 -41.71 65.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.157 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -49.42 -38.32 28.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.492 0.663 . . . . 0.0 109.705 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.459 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 38.6 m-20 -94.62 -24.67 17.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.918 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.476 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.4 m-20 -78.37 -46.73 19.26 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -1.61 -121.28 0.0 OUTLIER Glycine 0 CA--C 1.519 0.339 0 CA-C-N 114.494 -1.23 . . . . 0.0 116.047 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.2 t -89.48 -43.79 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 115.899 1.815 . . . . 0.0 115.899 -175.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -99.37 28.67 4.4 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -177.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.63 169.83 54.13 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 119.926 -1.131 . . . . 0.0 111.74 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -91.06 95.74 10.25 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.887 0.343 . . . . 0.0 110.17 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.551 ' HH2' HG12 ' B' ' 30' ' ' VAL . 6.8 m0 -97.78 119.59 36.65 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.6 p -106.42 133.94 50.33 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 17.4 t80 -106.35 143.15 34.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.98 0.419 . . . . 0.0 111.828 -178.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.7 t0 -123.61 81.13 1.87 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.498 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.24 -35.46 7.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.502 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.496 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.23 -34.21 22.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.027 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.7 p -128.18 10.86 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.8 mttp 54.49 31.49 14.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.966 0.412 . . . . 0.0 110.567 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.56 HG21 ' CD1' ' B' ' 6' ' ' ILE . 95.9 m -105.0 148.7 26.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.352 -178.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.526 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 27.1 m-85 -122.58 96.23 4.95 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.296 0.57 . . . . 0.0 111.827 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -78.11 124.73 28.39 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.255 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.6 t -113.14 111.79 37.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.204 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.595 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 25.2 m -101.33 116.3 32.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.279 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.632 ' CD ' HE22 ' A' ' 32' ' ' GLN . 3.7 tm-20 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.623 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.625 ' HG3' ' CE1' ' B' ' 3' ' ' TYR . 4.7 ppp? . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -97.83 125.79 42.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.847 0.356 . . . . 0.0 111.446 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.625 ' CE1' ' HG3' ' B' ' 1' ' ' MET . 1.3 m-85 -122.17 145.61 48.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.41 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 51' ' ' THR . 24.3 ttmm -110.96 107.73 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.735 0.302 . . . . 0.0 111.408 -179.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.821 ' HB ' HG23 ' B' ' 16' ' ' THR . 97.7 t -94.22 117.73 38.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.369 0.604 . . . . 0.0 110.495 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.767 HG22 ' OD1' ' B' ' 8' ' ' ASN . 66.0 mt -94.49 129.87 44.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.324 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.1 mt -107.86 92.25 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.441 -178.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.767 ' OD1' HG22 ' B' ' 6' ' ' ILE . 6.0 m120 -97.14 106.62 18.98 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.926 -179.057 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.88 -171.22 18.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.36 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.465 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.5 mtmp? -76.66 -55.45 5.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.828 0.347 . . . . 0.0 110.778 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.483 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 3.3 p -107.58 6.51 28.01 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.22 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.906 HD23 ' CG ' ' A' ' 33' ' ' PHE . 19.2 tp -138.43 138.66 38.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.009 0.433 . . . . 0.0 110.828 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.547 ' H ' HD12 ' B' ' 12' ' ' LEU . 95.2 mttt -144.95 144.04 30.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.159 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.67 -168.09 37.39 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.055 -1.069 . . . . 0.0 113.406 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -150.23 143.11 24.76 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.362 0.601 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.821 HG23 ' HB ' ' B' ' 5' ' ' VAL . 4.0 t -136.05 169.11 18.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.752 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' B' ' 3' ' ' TYR . 76.1 p -142.97 119.23 10.83 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.851 ' HB ' HD13 ' A' ' 12' ' ' LEU . 14.1 t -109.69 144.49 37.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.548 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -106.74 113.78 27.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.556 0.217 . . . . 0.0 110.537 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.711 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -146.25 152.77 39.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.249 0.547 . . . . 0.0 111.93 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 17.1 t -50.65 -36.4 14.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.902 -178.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.455 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 4.0 p-10 -142.45 166.93 23.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.249 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.526 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -57.0 -41.77 79.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.44 -54.8 30.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.967 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.908 ' O ' HG23 ' B' ' 29' ' ' VAL . 20.7 p -52.71 -44.15 66.13 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.711 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -61.48 -50.69 71.73 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.49 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 89.3 tt0 -55.03 -48.7 73.04 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.866 179.28 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -58.63 -39.32 80.19 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.431 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.908 HG23 ' O ' ' B' ' 25' ' ' THR . 97.6 t -60.04 -36.98 70.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.107 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.674 HG21 HG21 ' B' ' 5' ' ' VAL . 15.4 t -65.51 -47.89 84.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' B' ' 27' ' ' GLU . 1.0 OUTLIER -47.92 -44.21 29.72 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.051 0.453 . . . . 0.0 109.886 178.751 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.625 HE22 ' CD ' ' B' ' 56' ' ' GLU . 11.7 tm0? -65.57 -37.0 85.4 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.9 ' CG ' HD23 ' A' ' 12' ' ' LEU . 61.0 t80 -55.89 -58.0 9.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.202 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.497 ' CE2' HG12 ' B' ' 30' ' ' VAL . 28.1 m-85 -72.58 -41.6 65.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.185 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -49.45 -38.3 29.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.573 0.701 . . . . 0.0 109.759 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.464 ' HB2' ' HG2' ' B' ' 56' ' ' GLU . 38.9 m-20 -94.64 -24.75 17.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.801 -1.09 . . . . 0.0 112.763 -179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' B' ' 38' ' ' GLY . 20.0 m120 -78.44 -46.62 19.34 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -1.6 -121.36 0.0 OUTLIER Glycine 0 C--N 1.333 0.37 0 CA-C-N 114.52 -1.218 . . . . 0.0 116.016 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 63.6 t -89.44 -43.84 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -175.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -99.38 28.74 4.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.62 169.74 54.16 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.013 -1.089 . . . . 0.0 111.762 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -91.03 95.6 10.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 117.002 0.401 . . . . 0.0 110.26 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.559 ' HH2' HG12 ' A' ' 30' ' ' VAL . 6.8 m0 -97.69 119.66 36.67 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -178.235 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 53.0 p -106.52 134.07 50.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 17.4 t80 -106.41 143.26 34.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.025 0.44 . . . . 0.0 111.837 -178.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.491 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.6 t0 -123.6 81.12 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.484 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.24 -35.57 7.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.444 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.491 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.15 -34.19 21.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.05 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 74.7 p -128.22 10.93 6.38 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 mttp 54.56 31.42 14.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.028 0.442 . . . . 0.0 110.528 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.551 HG21 ' CD1' ' A' ' 6' ' ' ILE . 95.4 m -104.99 148.56 26.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.522 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.532 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 26.4 m-85 -122.53 96.11 4.9 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.314 0.578 . . . . 0.0 111.858 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -77.84 124.59 28.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.329 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.6 t -113.08 111.82 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.156 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 25.3 m -101.32 116.27 32.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.213 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.625 ' CD ' HE22 ' B' ' 32' ' ' GLN . 3.7 tm-20 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.651 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 N--CA 1.455 -0.203 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -122.09 141.34 51.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.567 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.757 ' O ' HG23 ' B' ' 51' ' ' THR . 61.1 tttm -104.86 108.28 19.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.658 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.673 ' HB ' HG23 ' A' ' 16' ' ' THR . 60.7 t -95.05 136.45 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.206 0.526 . . . . 0.0 110.589 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.8 HG22 ' OD1' ' A' ' 8' ' ' ASN . 78.6 mt -110.95 128.34 67.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.278 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 mt -108.26 101.16 10.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.953 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.8 ' OD1' HG22 ' A' ' 6' ' ' ILE . 5.8 m120 -106.74 105.84 16.07 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.851 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.66 -167.63 19.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.532 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.468 ' N ' ' HE3' ' A' ' 10' ' ' LYS . 0.9 OUTLIER -71.32 -55.09 8.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.657 0.265 . . . . 0.0 111.168 -179.767 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.612 ' OG1' HG13 ' B' ' 29' ' ' VAL . 4.8 p -117.96 16.83 14.24 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.408 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.956 HD13 ' HB ' ' B' ' 18' ' ' THR . 26.9 tp -141.55 139.39 33.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.102 0.477 . . . . 0.0 111.29 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.51 ' H ' HD12 ' A' ' 12' ' ' LEU . 97.1 mttt -145.33 147.87 32.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.284 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.67 -176.0 43.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.004 -1.093 . . . . 0.0 113.751 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -136.27 135.16 38.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.824 0.345 . . . . 0.0 110.256 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.772 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -134.25 166.25 23.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.038 -179.7 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.475 HG22 ' HA ' ' A' ' 4' ' ' LYS . 46.7 p -143.46 121.36 12.01 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.721 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.971 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.3 t -108.58 142.22 39.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.329 178.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' OE1' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -105.85 110.38 22.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.624 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -142.55 152.96 43.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.223 0.535 . . . . 0.0 112.107 -179.266 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.0 t -50.86 -37.16 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.844 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.684 ' OD1' HG23 ' A' ' 25' ' ' THR . 59.2 p30 -146.4 167.92 22.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.687 0.28 . . . . 0.0 111.111 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.95 -40.46 63.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.623 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.81 -55.13 29.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.202 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.814 ' O ' HG23 ' A' ' 29' ' ' VAL . 45.7 p -52.94 -45.26 67.6 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -60.04 -53.08 62.07 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.474 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 5.1 tp10 -51.49 -49.91 60.92 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.839 179.17 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 4.3 mmmp? -59.16 -41.02 87.36 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.67 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 25' ' ' THR . 73.8 t -54.26 -40.96 49.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.328 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.643 HG12 ' CH2' ' B' ' 43' ' ' TRP . 39.4 t -64.53 -46.75 91.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.474 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -49.63 -45.65 48.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.79 0.329 . . . . 0.0 110.658 178.91 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -69.12 -38.72 79.03 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.8 ' CG ' HD23 ' B' ' 12' ' ' LEU . 61.0 t80 -54.14 -55.78 24.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.718 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.499 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 25.6 m-85 -75.84 -39.04 57.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.592 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -50.9 -39.03 53.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.324 0.583 . . . . 0.0 110.001 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.468 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 34.2 m-20 -94.66 -26.5 16.3 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.073 -0.967 . . . . 0.0 113.388 -179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.507 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 90.0 m-20 -75.68 -40.48 55.84 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.439 -0.504 . . . . 0.0 109.892 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.94 -119.91 0.0 OUTLIER Glycine 0 CA--C 1.521 0.453 0 CA-C-N 114.463 -1.244 . . . . 0.0 115.909 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.2 t -84.81 -55.51 6.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 -175.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -90.1 27.55 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -176.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.09 146.41 49.06 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 119.926 -1.131 . . . . 0.0 112.238 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.19 93.19 2.29 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.741 0.305 . . . . 0.0 110.225 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.643 ' CH2' HG12 ' B' ' 30' ' ' VAL . 10.3 m0 -105.69 128.9 53.94 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.0 p -110.3 140.08 44.84 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.434 ' CD2' ' OD1' ' A' ' 47' ' ' ASP . 5.9 t80 -109.89 142.03 41.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 0.0 111.777 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -123.63 81.97 1.96 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.644 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.434 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 13.6 m-20 -46.46 -35.15 5.34 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.554 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.02 -31.19 12.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.128 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.9 p -128.03 15.12 6.83 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HE2' ' HE3' ' B' ' 1' ' ' MET . 2.6 mtmp? 47.54 38.96 8.74 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.089 0.471 . . . . 0.0 110.657 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.758 HG23 ' O ' ' B' ' 4' ' ' LYS . 88.0 m -125.33 144.44 50.49 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.643 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.458 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.5 m-85 -113.43 145.82 40.53 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.052 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -121.45 127.39 51.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.965 0.412 . . . . 0.0 111.024 178.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.64 HG13 ' NE1' ' A' ' 43' ' ' TRP . 45.3 t -107.64 113.31 43.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.463 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.597 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 23.5 m -101.26 109.32 21.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 111.413 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.468 ' HG2' ' HB2' ' A' ' 36' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.54 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.639 ' HA ' ' HE2' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.86 0.362 . . . . 0.0 110.562 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -99.32 139.07 35.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.099 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -121.81 141.49 51.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.642 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.758 ' O ' HG23 ' A' ' 51' ' ' THR . 61.0 tttm -104.93 108.22 19.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.677 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.679 ' HB ' HG23 ' B' ' 16' ' ' THR . 60.3 t -95.07 136.46 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 121.185 0.516 . . . . 0.0 110.583 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.806 HG22 ' OD1' ' B' ' 8' ' ' ASN . 79.4 mt -110.91 128.27 67.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.35 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 mt -108.33 101.27 10.48 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.944 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.806 ' OD1' HG22 ' B' ' 6' ' ' ILE . 5.8 m120 -106.65 105.86 16.1 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.839 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.71 -167.57 19.19 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.467 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.466 ' HE3' ' N ' ' B' ' 10' ' ' LYS . 0.9 OUTLIER -71.21 -55.11 8.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.707 0.289 . . . . 0.0 111.26 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.612 ' OG1' HG13 ' A' ' 29' ' ' VAL . 4.7 p -118.03 16.77 14.18 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.282 -179.091 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.971 HD13 ' HB ' ' A' ' 18' ' ' THR . 26.7 tp -141.59 139.42 33.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.027 0.441 . . . . 0.0 111.276 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.507 ' H ' HD12 ' B' ' 12' ' ' LEU . 97.0 mttt -145.31 147.83 32.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.304 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.71 -176.1 43.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 119.892 -1.147 . . . . 0.0 113.602 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -136.14 135.14 38.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.923 0.392 . . . . 0.0 110.279 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.764 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -134.17 166.23 23.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.04 -179.772 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.475 HG22 ' HA ' ' B' ' 4' ' ' LYS . 47.1 p -143.44 121.24 11.93 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.956 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.2 t -108.42 142.23 39.09 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.343 178.387 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' B' ' 20' ' ' ALA . 0.0 OUTLIER -105.91 110.4 22.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.622 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -142.57 153.01 43.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.19 0.519 . . . . 0.0 112.059 -179.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.0 t -50.87 -37.35 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.938 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.679 ' OD1' HG23 ' B' ' 25' ' ' THR . 59.3 p30 -146.19 167.84 22.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.789 0.328 . . . . 0.0 111.051 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.93 -40.39 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.574 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.86 -55.06 29.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.168 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.816 ' O ' HG23 ' B' ' 29' ' ' VAL . 45.5 p -53.06 -45.19 67.97 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -59.97 -53.18 60.82 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.474 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 5.1 tp10 -51.5 -49.78 61.2 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.933 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.46 ' NZ ' ' HB3' ' B' ' 28' ' ' LYS . 4.2 mmmp? -59.16 -41.03 87.42 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.768 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.816 HG23 ' O ' ' B' ' 25' ' ' THR . 72.5 t -54.26 -40.98 50.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.339 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.643 HG12 ' CH2' ' A' ' 43' ' ' TRP . 39.4 t -64.45 -46.77 91.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.544 179.041 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' B' ' 27' ' ' GLU . 1.0 OUTLIER -49.49 -45.76 47.37 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-O 120.873 0.368 . . . . 0.0 110.672 178.857 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -69.09 -38.87 79.21 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.792 ' CG ' HD23 ' A' ' 12' ' ' LEU . 60.9 t80 -54.02 -55.75 24.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.755 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.5 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 25.5 m-85 -75.91 -39.09 56.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.525 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -50.74 -39.08 51.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.393 0.616 . . . . 0.0 110.003 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.458 ' HB2' ' HG2' ' B' ' 56' ' ' GLU . 34.0 m-20 -94.65 -26.56 16.29 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.055 -0.975 . . . . 0.0 113.365 -178.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.507 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 90.1 m-20 -75.75 -40.4 55.49 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 120.374 -0.53 . . . . 0.0 109.902 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.02 -119.81 0.0 OUTLIER Glycine 0 C--N 1.333 0.369 0 CA-C-N 114.636 -1.166 . . . . 0.0 115.989 179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -84.9 -55.54 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -175.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -90.03 27.38 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -176.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.95 146.37 49.15 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 119.958 -1.115 . . . . 0.0 112.148 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.13 93.14 2.26 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.643 ' CH2' HG12 ' A' ' 30' ' ' VAL . 10.4 m0 -105.67 129.06 53.97 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -178.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 77.8 p -110.37 140.17 44.84 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.43 ' CD2' ' OD1' ' B' ' 47' ' ' ASP . 5.9 t80 -109.95 141.83 42.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 111.781 -178.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.49 81.87 1.94 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.745 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.43 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 13.6 m-20 -46.38 -35.31 5.35 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.524 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.9 -31.26 11.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.283 -179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 73.9 p -127.99 15.34 6.84 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? 47.21 39.27 8.16 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.041 0.448 . . . . 0.0 110.71 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 4' ' ' LYS . 87.0 m -125.35 144.36 50.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.661 -179.019 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' B' ' 52' ' ' PHE . 1.5 m-85 -113.43 145.83 40.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.043 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -121.5 127.45 51.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.958 0.409 . . . . 0.0 110.973 178.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.64 HG13 ' CD1' ' B' ' 43' ' ' TRP . 45.3 t -107.61 113.24 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.524 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.606 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 24.0 m -101.25 109.33 21.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 0.0 111.242 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.458 ' HG2' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.597 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 . . . . . 0 N--CA 1.457 -0.121 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' B' ' 50' ' ' LYS . 70.8 m-85 -115.46 143.93 44.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.832 0.348 . . . . 0.0 110.797 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.505 ' O ' ' HA ' ' B' ' 51' ' ' THR . 63.1 tttp -103.26 105.91 16.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.512 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.622 ' HB ' HG23 ' A' ' 16' ' ' THR . 90.3 t -94.62 112.82 27.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.3 0.571 . . . . 0.0 110.767 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.712 HG22 ' OD1' ' A' ' 8' ' ' ASN . 47.9 mt -94.94 127.87 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.786 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.435 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.9 mt -108.94 101.43 10.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.154 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.712 ' OD1' HG22 ' A' ' 6' ' ' ILE . 3.9 m120 -105.06 108.89 20.65 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.472 ' CA ' ' HB2' ' B' ' 56' ' ' GLU . . . -114.88 -176.21 18.72 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.7 178.508 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 12.6 mptt -76.54 -50.43 13.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.08 0.467 . . . . 0.0 110.322 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.537 ' OG1' HG13 ' B' ' 29' ' ' VAL . 10.4 p -106.21 1.77 26.34 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.497 -179.203 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.948 HD23 ' CG ' ' B' ' 33' ' ' PHE . 19.2 tp -137.0 137.56 39.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.279 0.561 . . . . 0.0 111.543 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.521 ' H ' HD12 ' A' ' 12' ' ' LEU . 2.0 mppt? -143.51 143.12 31.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.764 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.48 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -174.03 -177.33 43.12 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 119.817 -1.182 . . . . 0.0 113.393 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -140.09 136.02 33.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.495 -0.353 . . . . 0.0 110.197 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.765 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -135.33 165.26 25.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.757 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.3 p -143.37 119.15 10.51 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.94 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.6 t -106.95 145.91 31.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.359 178.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -106.58 111.2 23.64 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.723 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -142.37 152.13 42.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.203 0.525 . . . . 0.0 111.909 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.8 t -50.86 -29.63 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.889 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.637 ' OD1' HG23 ' A' ' 25' ' ' THR . 57.7 p30 -154.1 178.03 10.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.918 0.39 . . . . 0.0 111.391 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.99 94.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.729 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.83 -54.21 45.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.311 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.807 ' O ' HG23 ' A' ' 29' ' ' VAL . 41.4 p -51.11 -45.14 61.44 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.347 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.74 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.01 -53.86 52.84 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -52.29 -47.92 65.63 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.769 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -59.62 -43.89 93.65 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.073 0.463 . . . . 0.0 109.906 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 25' ' ' THR . 83.1 t -60.62 -38.11 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.476 179.376 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 26' ' ' ALA . 15.6 t -67.61 -49.85 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.477 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.535 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 27.9 mmtm -46.15 -51.79 13.44 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 121.158 0.504 . . . . 0.0 109.836 178.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.515 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -62.01 -35.36 78.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.725 179.084 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.951 ' CG ' HD23 ' B' ' 12' ' ' LEU . 49.8 t80 -56.19 -61.39 2.42 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.232 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.426 ' CE2' HG12 ' A' ' 30' ' ' VAL . 26.8 m-85 -69.42 -39.63 77.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.823 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.532 ' ND2' HG21 ' B' ' 39' ' ' VAL . 32.5 t-20 -49.58 -38.99 33.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.516 0.674 . . . . 0.0 109.797 178.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.7 -23.03 17.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.587 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.474 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.0 m-20 -79.92 -46.6 16.46 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.961 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.08 -118.2 0.0 OUTLIER Glycine 0 CA--C 1.521 0.441 0 CA-C-N 114.949 -1.023 . . . . 0.0 115.51 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.674 HG12 ' O ' ' A' ' 39' ' ' VAL . 26.3 t -111.91 5.04 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -176.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -123.63 12.33 9.25 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.763 -0.585 . . . . 0.0 112.152 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.99 177.98 53.19 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.849 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -97.51 100.38 11.8 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.589 ' HH2' HG12 ' B' ' 30' ' ' VAL . 9.7 m95 -97.18 120.26 37.21 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.8 p -110.16 136.92 48.64 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.504 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 22.8 t80 -111.56 146.98 36.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.155 0.503 . . . . 0.0 112.268 -178.409 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -123.56 81.61 1.92 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.135 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.91 -36.09 7.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.187 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.11 -37.08 32.36 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.3 p -128.83 12.25 6.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.733 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.583 ' HG2' ' HE1' ' B' ' 1' ' ' MET . 3.5 mppt? 54.75 29.04 11.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.011 0.434 . . . . 0.0 110.345 -178.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.517 HG23 HG13 ' B' ' 6' ' ' ILE . 88.1 m -97.78 134.4 40.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.604 -179.025 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 25.7 m-85 -112.14 128.54 56.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.999 179.324 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -110.08 92.69 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.326 0.584 . . . . 0.0 111.649 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 51.4 t -82.99 118.48 30.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.452 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 m -85.23 160.78 19.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.246 0.546 . . . . 0.0 111.962 -178.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.474 ' HB2' ' CA ' ' B' ' 9' ' ' GLY . 45.9 tt0 . . . . . 0 C--O 1.249 1.065 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.871 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.583 ' HE1' ' HG2' ' A' ' 50' ' ' LYS . 5.6 ttp . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.818 0.342 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -99.05 132.22 44.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.055 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.482 ' CE2' ' HE1' ' B' ' 1' ' ' MET . 71.0 m-85 -115.45 144.1 44.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.329 . . . . 0.0 110.796 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 51' ' ' THR . 63.2 tttp -103.36 105.79 16.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.538 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.621 ' HB ' HG23 ' B' ' 16' ' ' THR . 88.6 t -94.61 112.81 27.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.376 0.608 . . . . 0.0 110.804 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.715 HG22 ' OD1' ' B' ' 8' ' ' ASN . 47.8 mt -95.0 127.88 46.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.721 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.9 mt -109.0 101.45 10.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.063 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.715 ' OD1' HG22 ' B' ' 6' ' ' ILE . 3.9 m120 -105.08 108.91 20.68 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.474 ' CA ' ' HB2' ' A' ' 56' ' ' GLU . . . -114.89 -176.26 18.72 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.451 -0.88 . . . . 0.0 111.692 178.469 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' B' ' 10' ' ' LYS . 12.6 mptt -76.56 -50.35 14.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.049 0.452 . . . . 0.0 110.332 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.542 ' OG1' HG13 ' A' ' 29' ' ' VAL . 10.4 p -106.16 1.64 26.36 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.46 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.951 HD23 ' CG ' ' A' ' 33' ' ' PHE . 19.1 tp -136.91 137.4 39.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.228 0.537 . . . . 0.0 111.597 -179.39 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.521 ' H ' HD12 ' B' ' 12' ' ' LEU . 2.0 mppt? -143.37 143.1 31.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.779 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -174.0 -177.36 43.12 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 119.906 -1.14 . . . . 0.0 113.517 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -140.05 135.89 33.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.289 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.754 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -135.16 165.39 25.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.735 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 64.0 p -143.52 119.1 10.38 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -178.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.93 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.7 t -106.95 145.81 31.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.376 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -106.53 111.23 23.69 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.717 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -142.41 152.2 42.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.28 0.562 . . . . 0.0 111.877 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.9 t -50.9 -29.6 7.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.833 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.64 ' OD1' HG23 ' B' ' 25' ' ' THR . 57.6 p30 -154.1 178.01 10.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.869 0.366 . . . . 0.0 111.489 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.0 94.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.714 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.83 -54.34 43.53 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.808 ' O ' HG23 ' B' ' 29' ' ' VAL . 41.4 p -50.99 -45.16 60.99 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.441 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.742 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.92 -54.02 51.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -52.27 -47.9 65.58 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.7 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -59.65 -43.91 93.74 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.064 0.459 . . . . 0.0 109.908 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.808 HG23 ' O ' ' B' ' 25' ' ' THR . 83.2 t -60.57 -38.16 77.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.499 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.742 HG23 ' O ' ' B' ' 26' ' ' ALA . 15.7 t -67.58 -49.84 66.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.537 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 27.9 mmtm -46.1 -51.88 13.09 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.335 0.588 . . . . 0.0 109.87 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.517 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -62.0 -35.38 78.37 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.716 179.14 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.948 ' CG ' HD23 ' A' ' 12' ' ' LEU . 50.1 t80 -56.18 -61.37 2.44 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.243 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.419 ' CE2' HG12 ' B' ' 30' ' ' VAL . 26.8 m-85 -69.44 -39.65 77.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.801 179.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.526 ' ND2' HG21 ' A' ' 39' ' ' VAL . 32.6 t-20 -49.62 -38.99 34.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.45 0.643 . . . . 0.0 109.818 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.68 -22.98 17.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.517 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.478 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.0 m-20 -79.96 -46.63 16.34 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.902 179.226 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.11 -118.12 0.0 OUTLIER Glycine 0 C--N 1.333 0.396 0 CA-C-N 114.887 -1.051 . . . . 0.0 115.539 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.674 HG12 ' O ' ' B' ' 39' ' ' VAL . 25.9 t -111.9 5.01 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -176.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -123.65 12.3 9.23 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.764 -0.585 . . . . 0.0 112.111 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.07 177.89 53.11 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.415 -0.897 . . . . 0.0 112.855 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -97.44 100.52 11.95 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.601 ' HH2' HG12 ' A' ' 30' ' ' VAL . 9.7 m95 -97.18 120.25 37.18 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.207 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 38.8 p -110.1 136.96 48.53 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.508 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 22.8 t80 -111.64 147.05 36.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.152 0.501 . . . . 0.0 112.131 -178.344 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -123.61 81.46 1.9 Allowed 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.165 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.9 -36.12 7.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.111 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.92 -37.22 30.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.3 p -128.78 12.17 6.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.754 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 3.5 mppt? 54.88 29.05 11.34 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.865 0.364 . . . . 0.0 110.23 -178.604 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.521 HG23 HG13 ' A' ' 6' ' ' ILE . 87.5 m -97.9 134.33 41.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.487 -178.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.508 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 25.5 m-85 -112.01 128.55 56.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.042 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -110.17 92.74 4.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.44 0.638 . . . . 0.0 111.62 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 51.7 t -83.02 118.49 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.47 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 7.4 m -85.32 160.81 19.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.365 0.603 . . . . 0.0 111.856 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.472 ' HB2' ' CA ' ' A' ' 9' ' ' GLY . 45.8 tt0 . . . . . 0 C--O 1.247 0.944 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.976 179.443 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.72 0.295 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.485 ' HE2' ' HB2' ' A' ' 23' ' ' ALA . 10.2 m-85 -128.06 146.86 50.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.73 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.823 ' O ' HG23 ' B' ' 51' ' ' THR . 62.8 tttp -103.85 109.18 20.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.675 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.741 ' HB ' HG23 ' A' ' 16' ' ' THR . 57.4 t -94.61 131.45 41.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.462 179.861 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.426 ' CD1' HG21 ' B' ' 51' ' ' THR . 70.7 mt -104.7 116.14 47.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.26 -179.529 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.946 HD21 ' CZ ' ' A' ' 34' ' ' PHE . 63.1 mt -94.53 83.44 4.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.434 179.272 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.582 HD21 ' C ' ' A' ' 8' ' ' ASN . 0.2 OUTLIER -94.93 107.77 19.8 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.799 -177.717 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.83 -170.69 15.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.184 179.165 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -82.81 -55.15 4.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.261 0.553 . . . . 0.0 110.046 179.469 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.422 ' HB ' HG11 ' B' ' 29' ' ' VAL . 5.6 p -100.12 -2.12 34.99 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.007 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.923 HD13 ' HB ' ' B' ' 18' ' ' THR . 16.7 tp -131.76 132.71 44.04 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.085 0.469 . . . . 0.0 111.37 -179.355 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.431 ' H ' HD12 ' A' ' 12' ' ' LEU . 29.7 mmmt -131.75 128.33 38.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.747 -179.881 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.454 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -166.49 175.92 41.78 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 119.626 -1.273 . . . . 0.0 113.82 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -140.19 140.46 35.88 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 179.36 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.774 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -137.62 167.42 21.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 -179.407 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.573 HG22 ' HA ' ' A' ' 4' ' ' LYS . 71.3 p -143.89 119.73 10.58 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.915 ' HB ' HD13 ' B' ' 12' ' ' LEU . 9.9 t -106.56 145.03 32.38 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.551 178.393 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -105.75 117.08 33.09 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.574 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.14 153.71 38.11 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.278 0.561 . . . . 0.0 112.167 -179.267 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.0 t -50.63 -28.1 5.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.167 -178.737 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.68 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -155.17 171.24 20.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.709 0.29 . . . . 0.0 111.292 179.384 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.523 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -57.56 -41.79 81.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.464 -179.316 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.66 -54.36 36.95 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.437 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.916 ' O ' HG23 ' A' ' 29' ' ' VAL . 76.2 p -52.19 -45.74 65.28 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.498 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.606 ' HB1' HG23 ' A' ' 18' ' ' THR . . . -60.73 -51.69 68.28 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.398 178.137 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 8.5 tm-20 -53.34 -46.06 69.36 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.418 178.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -62.04 -43.3 99.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.262 179.354 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 25' ' ' THR . 86.6 t -58.13 -40.42 77.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.235 179.518 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.626 HG12 ' CH2' ' B' ' 43' ' ' TRP . 65.4 t -61.89 -45.94 97.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.58 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.496 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 2.1 mmmp? -48.34 -52.36 21.97 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.244 0.545 . . . . 0.0 110.111 179.077 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.406 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 33.9 tp60 -57.7 -38.12 74.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.783 179.492 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.886 ' CG ' HD23 ' B' ' 12' ' ' LEU . 37.7 t80 -52.86 -65.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.06 179.447 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.946 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 27.5 m-85 -66.07 -38.1 87.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.47 179.434 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.421 ' ND2' ' CG2' ' B' ' 39' ' ' VAL . 33.4 t-20 -50.5 -39.93 49.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.468 0.651 . . . . 0.0 110.136 178.693 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -94.74 -22.94 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.907 -1.042 . . . . 0.0 112.462 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.0 m-20 -78.41 -46.03 20.86 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.193 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -3.84 -118.57 0.0 OUTLIER Glycine 0 CA--C 1.518 0.255 0 CA-C-N 114.587 -1.188 . . . . 0.0 115.687 179.711 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 39' ' ' VAL . 26.3 t -104.91 -1.3 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -175.921 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -125.41 16.72 8.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 119.285 0.948 . . . . 0.0 112.167 -179.576 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.3 165.06 53.8 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.23 -179.608 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -92.01 100.14 12.84 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.857 0.361 . . . . 0.0 110.036 179.432 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.632 ' CH2' HG12 ' B' ' 30' ' ' VAL . 9.4 m0 -101.92 122.88 44.86 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -178.277 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.467 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 76.8 p -111.36 140.32 46.04 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.119 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.518 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 7.2 t80 -111.74 142.57 43.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 111.59 -178.864 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -123.18 82.96 2.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.657 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.437 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 54.3 m-20 -45.89 -34.59 3.96 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.502 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.82 -31.87 12.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.126 -178.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.2 p -128.07 16.32 6.74 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.537 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt 48.26 38.15 9.7 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.83 HG23 ' O ' ' B' ' 4' ' ' LYS . 83.4 m -127.6 141.57 51.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.084 0.469 . . . . 0.0 112.137 -178.466 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.521 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 87.1 m-85 -106.61 144.12 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.647 178.66 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.467 ' HG1' ' HG1' ' A' ' 44' ' ' THR . 3.3 p -120.92 124.92 46.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.193 0.521 . . . . 0.0 111.88 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.9 t -104.93 110.76 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.096 178.429 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.571 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 12.4 m -102.29 115.15 29.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.071 0.463 . . . . 0.0 112.164 -178.35 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.061 179.644 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.941 0.4 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -106.91 143.8 34.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.416 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.487 ' HE2' ' HB2' ' B' ' 23' ' ' ALA . 9.9 m-85 -127.95 146.86 50.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.793 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.83 ' O ' HG23 ' A' ' 51' ' ' THR . 62.9 tttp -103.75 109.12 20.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.664 -179.897 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.738 ' HB ' HG23 ' B' ' 16' ' ' THR . 56.8 t -94.63 131.39 41.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.515 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.432 ' CD1' HG21 ' A' ' 51' ' ' THR . 70.8 mt -104.63 116.15 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.109 0.48 . . . . 0.0 111.317 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.945 HD21 ' CZ ' ' B' ' 34' ' ' PHE . 63.1 mt -94.48 83.34 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.431 179.287 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.575 ' C ' HD21 ' B' ' 8' ' ' ASN . 0.2 OUTLIER -94.9 107.81 19.85 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.779 -177.738 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.85 -170.64 15.52 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.194 179.082 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -82.87 -55.08 4.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.241 0.543 . . . . 0.0 110.144 179.456 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.422 ' HB ' HG11 ' A' ' 29' ' ' VAL . 5.7 p -100.16 -1.96 35.28 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.039 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.915 HD13 ' HB ' ' A' ' 18' ' ' THR . 16.8 tp -131.86 132.68 43.87 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.217 0.532 . . . . 0.0 111.384 -179.457 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.426 ' H ' HD12 ' B' ' 12' ' ' LEU . 29.7 mmmt -131.7 128.24 38.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.798 -179.815 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -166.51 175.83 41.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 119.63 -1.271 . . . . 0.0 113.854 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -140.16 140.42 35.93 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.359 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.765 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -137.48 167.38 21.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.151 -179.376 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.568 HG22 ' HA ' ' B' ' 4' ' ' LYS . 72.0 p -143.87 119.78 10.62 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.031 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.923 ' HB ' HD13 ' A' ' 12' ' ' LEU . 9.8 t -106.65 145.07 32.41 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.466 178.439 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -105.75 117.15 33.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.626 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.578 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -149.19 153.61 37.9 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.213 0.53 . . . . 0.0 112.217 -179.228 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 25.2 t -50.6 -28.03 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.196 -178.722 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.677 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -155.15 171.2 20.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.352 . . . . 0.0 111.158 179.452 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.521 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -57.59 -41.72 81.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.553 -179.457 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.61 -54.57 33.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.398 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.917 ' O ' HG23 ' B' ' 29' ' ' VAL . 75.0 p -52.04 -45.83 64.82 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.507 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.608 ' HB1' HG23 ' B' ' 18' ' ' THR . . . -60.68 -51.69 68.28 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.359 178.184 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 8.4 tm-20 -53.35 -46.13 69.4 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.401 178.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -61.97 -43.3 99.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.287 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.917 HG23 ' O ' ' B' ' 25' ' ' THR . 87.0 t -58.15 -40.35 76.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.356 179.431 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.632 HG12 ' CH2' ' A' ' 43' ' ' TRP . 65.0 t -61.85 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 178.467 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.493 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 2.1 mmmp? -48.41 -52.39 22.22 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.142 0.496 . . . . 0.0 110.034 179.121 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.406 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 33.9 tp60 -57.6 -38.27 74.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.88 179.487 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.892 ' CG ' HD23 ' A' ' 12' ' ' LEU . 36.9 t80 -52.62 -65.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.128 179.336 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.945 ' CZ ' HD21 ' B' ' 7' ' ' LEU . 27.5 m-85 -66.15 -38.04 87.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.496 179.443 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.416 ' ND2' ' CG2' ' A' ' 39' ' ' VAL . 33.5 t-20 -50.51 -39.99 50.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.427 0.632 . . . . 0.0 110.134 178.621 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -94.77 -22.78 17.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.99 -1.004 . . . . 0.0 112.452 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.465 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.0 m-20 -78.47 -46.02 20.69 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.197 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -3.83 -118.62 0.0 OUTLIER Glycine 0 C--N 1.332 0.329 0 CA-C-N 114.587 -1.188 . . . . 0.0 115.639 179.681 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.602 HG12 ' O ' ' B' ' 39' ' ' VAL . 26.9 t -104.97 -1.1 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -175.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -125.52 16.79 8.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 119.165 0.893 . . . . 0.0 112.148 -179.614 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.24 165.07 53.84 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.209 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -92.11 100.17 12.85 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.894 0.378 . . . . 0.0 110.174 179.285 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.626 ' CH2' HG12 ' A' ' 30' ' ' VAL . 9.4 m0 -101.86 122.88 44.83 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.177 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.464 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 76.7 p -111.35 140.42 45.94 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.092 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.52 ' CD1' ' CD2' ' B' ' 52' ' ' PHE . 7.2 t80 -111.75 142.59 43.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.854 0.359 . . . . 0.0 111.643 -178.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -123.13 82.98 2.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.686 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.435 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 53.9 m-20 -45.87 -34.6 3.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.595 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.8 -31.83 12.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.244 -178.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 74.1 p -128.0 16.24 6.79 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.534 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt 48.17 38.26 9.61 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.933 0.397 . . . . 0.0 110.391 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.823 HG23 ' O ' ' A' ' 4' ' ' LYS . 84.0 m -127.7 141.6 51.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.07 -178.371 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.523 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 87.6 m-85 -106.66 144.26 33.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.498 178.724 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.464 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 3.3 p -121.04 124.86 45.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.252 0.549 . . . . 0.0 111.861 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 78.3 t -104.88 110.67 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.128 178.428 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 12.0 m -102.18 114.99 29.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.451 . . . . 0.0 112.14 -178.308 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.311 -0.852 . . . . 0.0 111.071 179.558 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 . . . . . 0 C--O 1.232 0.136 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -124.07 146.08 48.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 0.0 111.117 -179.684 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.511 ' O ' ' HA ' ' B' ' 51' ' ' THR . 1.4 tmtp? -97.77 107.71 20.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.025 -179.799 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.784 ' HB ' HG23 ' A' ' 16' ' ' THR . 58.1 t -96.54 124.09 49.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.118 0.485 . . . . 0.0 111.243 -179.561 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.838 HG22 ' OD1' ' A' ' 8' ' ' ASN . 74.4 mt -105.6 125.67 60.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.303 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mt -108.78 103.48 12.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.699 0.285 . . . . 0.0 110.748 -178.906 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.838 ' OD1' HG22 ' A' ' 6' ' ' ILE . 5.7 m120 -109.27 108.76 19.47 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.373 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.423 ' HA2' ' CB ' ' B' ' 56' ' ' GLU . . . -111.97 -170.04 18.44 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.63 179.557 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -71.58 -55.49 7.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.952 0.406 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.7 ' OG1' HG13 ' B' ' 29' ' ' VAL . 3.0 p -114.85 13.23 17.1 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.353 -179.177 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.931 HD13 ' HB ' ' B' ' 18' ' ' THR . 28.5 tp -139.43 139.58 37.12 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.952 0.406 . . . . 0.0 111.276 -179.44 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.47 ' H ' HD12 ' A' ' 12' ' ' LEU . 65.9 mttm -145.11 145.48 31.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.317 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.31 -172.1 39.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 119.891 -1.147 . . . . 0.0 113.567 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HB3' ' HE3' ' A' ' 4' ' ' LYS . 53.6 mt-10 -142.76 137.9 30.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.483 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.784 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -138.54 168.14 20.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.108 -179.579 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.431 ' O ' HD12 ' B' ' 12' ' ' LEU . 58.5 p -143.26 119.57 10.89 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.855 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.945 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.3 t -104.53 138.38 40.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.88 178.786 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -100.26 110.23 22.47 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.557 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -145.71 149.73 34.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.173 0.511 . . . . 0.0 111.868 -179.333 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -50.96 -36.88 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.772 -178.875 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.511 ' OD1' HG23 ' A' ' 25' ' ' THR . 7.3 p-10 -145.65 169.73 17.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.904 0.383 . . . . 0.0 111.364 179.697 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.37 -41.58 72.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.367 -179.764 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.412 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -62.67 -54.45 39.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.253 179.591 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.671 ' O ' HG23 ' A' ' 29' ' ' VAL . 35.0 p -53.07 -44.25 67.36 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.348 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.618 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.75 -53.66 55.32 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.133 177.941 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 89.0 tt0 -50.68 -49.31 57.63 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.52 179.132 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -59.14 -44.96 92.09 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.192 0.52 . . . . 0.0 109.683 179.053 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.694 HG13 ' OG1' ' B' ' 11' ' ' THR . 51.0 t -56.39 -43.23 76.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.567 179.136 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 26' ' ' ALA . 21.2 t -65.58 -48.79 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.706 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.629 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 27.7 mmtm -46.72 -48.56 20.3 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 121.178 0.513 . . . . 0.0 109.906 178.881 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.507 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -63.71 -35.5 80.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.823 179.017 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.892 ' CG ' HD23 ' B' ' 12' ' ' LEU . 61.4 t80 -56.39 -57.72 11.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.37 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -75.4 -40.59 57.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.54 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.529 HD22 HG22 ' B' ' 39' ' ' VAL . 24.8 t-20 -49.52 -37.79 28.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.55 0.69 . . . . 0.0 109.875 178.689 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.42 ' CB ' ' OE2' ' A' ' 56' ' ' GLU . 1.5 m-20 -94.64 -24.21 17.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.722 -1.127 . . . . 0.0 112.805 -179.52 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 85.5 m-20 -76.92 -43.66 34.69 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.024 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.35 -119.77 0.0 OUTLIER Glycine 0 C--N 1.333 0.362 0 CA-C-N 114.48 -1.237 . . . . 0.0 116.042 179.802 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.525 HG22 HD22 ' B' ' 35' ' ' ASN . 91.5 t -84.37 -55.32 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -175.682 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -89.25 27.28 1.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -176.921 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.09 156.62 53.57 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 119.901 -1.142 . . . . 0.0 112.038 179.301 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -87.14 99.05 11.64 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.83 0.315 . . . . 0.0 110.156 179.398 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.628 ' CH2' ' HD3' ' B' ' 31' ' ' LYS . 6.4 m0 -104.92 125.29 50.77 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -178.091 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.402 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 71.0 p -108.84 138.27 45.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.516 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.492 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 8.0 t80 -112.45 142.97 44.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.034 0.445 . . . . 0.0 111.56 -178.851 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.63 84.34 2.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.695 179.587 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 15.4 m-20 -47.74 -36.13 10.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.619 -179.672 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.89 -32.71 15.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.115 -179.111 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.7 p -128.11 13.72 6.73 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.65 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 49.22 33.26 4.91 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.554 -179.543 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.616 HG21 ' CD1' ' B' ' 6' ' ' ILE . 96.5 m -113.66 146.02 40.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.127 0.489 . . . . 0.0 111.763 -178.884 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.492 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 1.8 m-85 -116.61 137.29 52.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.008 179.465 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.542 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -119.48 127.7 53.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.185 0.517 . . . . 0.0 111.775 179.381 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -107.48 107.25 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.544 178.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.59 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 10.1 m -94.52 108.44 20.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.057 0.456 . . . . 0.0 111.801 -178.767 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.423 ' CB ' ' HA2' ' B' ' 9' ' ' GLY . 16.3 tp10 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.995 179.582 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.428 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 28.1 ttt . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.778 0.323 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.428 ' N ' ' HG2' ' B' ' 1' ' ' MET . 66.2 tt0 -103.2 138.14 40.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.085 179.35 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -124.11 146.09 48.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.961 0.41 . . . . 0.0 111.122 -179.763 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.511 ' O ' ' HA ' ' A' ' 51' ' ' THR . 1.4 tmtp? -97.91 107.9 20.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.05 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.776 ' HB ' HG23 ' B' ' 16' ' ' THR . 57.7 t -96.58 124.01 49.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.079 0.466 . . . . 0.0 111.317 -179.481 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.84 HG22 ' OD1' ' B' ' 8' ' ' ASN . 74.7 mt -105.66 125.64 61.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.21 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.7 mt -108.76 103.49 12.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.738 0.304 . . . . 0.0 110.742 -178.932 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.84 ' OD1' HG22 ' B' ' 6' ' ' ILE . 5.7 m120 -109.28 108.75 19.46 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.438 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.423 ' HA2' ' CB ' ' A' ' 56' ' ' GLU . . . -111.96 -170.03 18.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.546 179.593 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -71.62 -55.52 7.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.935 0.398 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.694 ' OG1' HG13 ' A' ' 29' ' ' VAL . 3.0 p -114.75 13.2 17.23 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.294 -179.143 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.945 HD13 ' HB ' ' A' ' 18' ' ' THR . 28.8 tp -139.49 139.49 36.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.001 0.429 . . . . 0.0 111.222 -179.305 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.467 ' H ' HD12 ' B' ' 12' ' ' LEU . 65.8 mttm -144.99 145.49 31.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.348 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.3 -172.18 39.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 119.931 -1.128 . . . . 0.0 113.638 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.421 ' HB3' ' HE3' ' B' ' 4' ' ' LYS . 53.7 mt-10 -142.69 137.99 30.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.972 0.415 . . . . 0.0 110.496 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.776 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -138.58 168.17 20.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.086 -179.541 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.436 ' O ' HD12 ' A' ' 12' ' ' LEU . 58.0 p -143.44 119.46 10.68 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -178.859 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.931 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.4 t -104.27 138.35 40.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.935 178.773 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -100.24 110.19 22.43 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.578 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.549 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -145.68 149.72 34.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.267 0.556 . . . . 0.0 111.814 -179.215 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.08 -36.68 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.848 -178.852 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.516 ' OD1' HG23 ' B' ' 25' ' ' THR . 7.3 p-10 -145.82 169.78 17.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.914 0.388 . . . . 0.0 111.275 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.48 -41.49 73.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.367 -179.619 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.407 ' HB3' ' OD2' ' B' ' 22' ' ' ASP . . . -62.62 -54.49 38.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.205 179.537 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.672 ' O ' HG23 ' B' ' 29' ' ' VAL . 34.4 p -53.13 -44.18 67.51 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.501 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.612 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.84 -53.7 54.8 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 178.005 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -50.53 -49.33 56.13 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.585 179.029 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -59.17 -44.96 92.16 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.085 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.7 HG13 ' OG1' ' A' ' 11' ' ' THR . 50.7 t -56.42 -43.16 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.584 179.146 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.612 HG23 ' O ' ' B' ' 26' ' ' ALA . 21.3 t -65.7 -48.74 81.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.728 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.628 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 27.8 mmtm -46.68 -48.53 20.08 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.088 0.471 . . . . 0.0 109.934 178.721 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.508 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -63.83 -35.46 80.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.753 179.1 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.886 ' CG ' HD23 ' A' ' 12' ' ' LEU . 61.2 t80 -56.32 -57.79 10.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.393 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -75.4 -40.75 57.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.438 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.525 HD22 HG22 ' A' ' 39' ' ' VAL . 24.9 t-20 -49.4 -37.74 26.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.552 0.691 . . . . 0.0 109.976 178.644 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.418 ' CB ' ' OE2' ' B' ' 56' ' ' GLU . 1.5 m-20 -94.74 -24.07 17.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.728 -1.123 . . . . 0.0 112.756 -179.501 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 85.4 m-20 -77.08 -43.63 33.63 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.062 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.25 -119.77 0.0 OUTLIER Glycine 0 C--N 1.333 0.4 0 CA-C-N 114.398 -1.274 . . . . 0.0 116.09 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.529 HG22 HD22 ' A' ' 35' ' ' ASN . 89.6 t -84.38 -55.39 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -175.692 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -89.16 27.14 1.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -176.914 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.89 156.68 53.49 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 119.939 -1.124 . . . . 0.0 111.989 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -87.28 99.06 11.69 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.319 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.629 ' CH2' ' HD3' ' A' ' 31' ' ' LYS . 6.5 m0 -105.03 125.39 50.93 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.018 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.0 p -108.88 138.32 45.41 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.637 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.497 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 8.1 t80 -112.46 142.89 44.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.914 0.388 . . . . 0.0 111.582 -178.814 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -123.6 84.39 2.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.636 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.429 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 15.6 m-20 -47.92 -35.95 11.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.629 -179.619 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.98 -32.65 15.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 112.149 -179.197 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 79.2 p -128.27 13.99 6.66 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 49.24 33.16 4.85 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.903 0.382 . . . . 0.0 110.536 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.61 HG21 ' CD1' ' A' ' 6' ' ' ILE . 96.6 m -113.59 145.93 40.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.821 -178.841 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.497 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 1.8 m-85 -116.6 137.35 52.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.99 179.425 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.544 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -119.56 127.65 53.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.148 0.499 . . . . 0.0 111.782 179.377 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.2 t -107.37 107.24 22.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.575 178.945 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.592 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 10.3 m -94.55 108.53 20.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.009 0.433 . . . . 0.0 111.678 -178.675 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.423 ' CB ' ' HA2' ' A' ' 9' ' ' GLY . 16.4 tp10 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.997 179.535 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 C--O 1.231 0.11 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -134.11 149.15 51.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.743 0.306 . . . . 0.0 110.988 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.844 ' O ' HG23 ' B' ' 51' ' ' THR . 4.8 ttmp? -107.8 110.88 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.504 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.712 ' HB ' HG23 ' A' ' 16' ' ' THR . 62.0 t -94.43 134.89 30.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.311 0.577 . . . . 0.0 111.385 -179.53 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.426 HG13 ' CG2' ' B' ' 51' ' ' THR . 74.0 mt -104.39 116.43 48.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.293 179.705 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.462 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.0 mt -94.9 85.09 4.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.523 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.681 ' O ' ' HA ' ' B' ' 55' ' ' THR . 33.5 t-20 -95.32 107.36 19.48 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.273 -178.094 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.414 ' HA3' ' HE1' ' B' ' 33' ' ' PHE . . . -116.51 -165.82 14.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.531 179.382 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.526 ' HG2' ' CG ' ' B' ' 56' ' ' GLU . 3.2 mmmp? -78.39 -57.8 3.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.042 0.449 . . . . 0.0 110.755 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.459 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 3.0 p -106.43 5.89 29.82 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.236 -179.556 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.997 HD13 ' HB ' ' B' ' 18' ' ' THR . 20.0 tp -136.98 136.27 38.38 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.085 0.469 . . . . 0.0 111.185 -179.502 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.47 ' H ' HD12 ' A' ' 12' ' ' LEU . 27.3 mtpp -145.21 145.62 31.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.015 179.803 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.535 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -179.36 -168.71 38.75 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 119.966 -1.111 . . . . 0.0 113.319 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -145.23 137.6 25.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.996 0.427 . . . . 0.0 110.543 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.757 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -134.08 168.37 18.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.895 -179.739 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.431 HG22 ' HA ' ' A' ' 4' ' ' LYS . 66.3 p -143.47 117.28 9.32 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -179.06 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' THR . . . . . 1.005 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.7 t -104.63 141.29 36.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.815 178.287 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -99.31 112.84 24.93 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.322 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.545 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -147.66 150.06 33.65 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.17 0.509 . . . . 0.0 112.116 -178.921 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.78 -29.79 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.079 -178.744 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.476 ' OD1' HG23 ' A' ' 25' ' ' THR . 6.5 p-10 -154.82 172.03 18.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.921 0.391 . . . . 0.0 111.486 179.687 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.454 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -57.43 -41.37 80.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.284 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.79 -54.56 33.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.435 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.867 ' O ' HG23 ' A' ' 29' ' ' VAL . 35.8 p -53.49 -44.28 68.88 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.208 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.797 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.84 -51.64 68.86 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.379 178.014 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 88.7 tt0 -54.85 -45.98 74.59 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.596 179.406 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -63.74 -47.2 82.0 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.209 179.406 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 25' ' ' THR . 96.2 t -53.9 -42.38 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.864 179.204 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 26' ' ' ALA . 40.2 t -62.05 -44.7 99.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.435 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.523 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 29.1 mmtp -46.8 -52.1 14.94 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.915 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -59.57 -38.07 80.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.685 179.266 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.889 ' CG ' HD23 ' B' ' 12' ' ' LEU . 52.5 t80 -53.86 -63.02 1.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.218 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -68.16 -39.12 82.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.669 179.233 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.515 ' ND2' HG21 ' B' ' 39' ' ' VAL . 34.1 t-20 -51.08 -39.16 55.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.343 0.592 . . . . 0.0 110.19 178.565 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.49 -22.84 17.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.464 -179.799 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.479 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.2 m-20 -80.35 -45.99 16.85 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.857 179.273 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.29 -116.4 0.0 OUTLIER Glycine 0 C--N 1.333 0.376 0 CA-C-N 114.824 -1.08 . . . . 0.0 115.464 179.772 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.66 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.9 t -110.19 4.51 8.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -176.138 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.42 13.63 8.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.631 -0.668 . . . . 0.0 112.092 -179.813 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.47 170.96 53.87 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.404 -0.903 . . . . 0.0 113.022 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 0.5 OUTLIER -97.32 105.68 17.88 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.207 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.574 ' HH2' HG12 ' B' ' 30' ' ' VAL . 7.5 m0 -103.64 123.92 47.87 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -178.183 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.498 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 64.7 p -112.0 138.39 48.71 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.882 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.498 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 9.2 t80 -111.7 145.27 39.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.932 0.396 . . . . 0.0 111.757 -178.754 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.463 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.7 t0 -123.45 82.82 2.05 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.78 179.507 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.428 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 14.4 m-20 -45.32 -34.68 3.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.898 -179.593 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.463 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.5 -34.56 17.41 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -178.716 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -128.21 16.64 6.65 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.5 mttp 47.9 36.88 6.58 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.002 0.43 . . . . 0.0 110.582 -179.563 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.845 HG23 ' O ' ' B' ' 4' ' ' LYS . 93.4 m -122.87 139.0 54.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.251 -179.213 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.5 m-85 -107.17 145.16 32.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.926 179.604 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.498 ' HG1' ' HG1' ' A' ' 44' ' ' THR . 2.9 p -117.26 121.48 41.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.162 0.506 . . . . 0.0 111.029 178.732 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.9 t -102.63 107.46 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.407 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.681 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 16.9 m -97.76 114.05 25.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.029 179.671 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.522 ' CG ' ' HG2' ' B' ' 10' ' ' LYS . 2.1 pp20? . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.173 -0.918 . . . . 0.0 111.419 -178.678 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 121.018 0.437 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -112.94 155.02 25.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.253 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -134.09 149.13 51.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 111.008 -179.77 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.845 ' O ' HG23 ' A' ' 51' ' ' THR . 4.8 ttmp? -107.73 110.85 22.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.503 179.794 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.712 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.8 t -94.47 134.9 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.347 0.594 . . . . 0.0 111.329 -179.511 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.43 HG13 ' CG2' ' A' ' 51' ' ' THR . 74.2 mt -104.43 116.53 48.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.301 179.698 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.0 mt -94.88 84.98 4.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.514 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.681 ' O ' ' HA ' ' A' ' 55' ' ' THR . 33.6 t-20 -95.24 107.31 19.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.32 -178.171 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.413 ' HA3' ' HE1' ' A' ' 33' ' ' PHE . . . -116.6 -165.78 14.14 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.419 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.522 ' HG2' ' CG ' ' A' ' 56' ' ' GLU . 3.2 mmmp? -78.3 -57.97 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.066 0.46 . . . . 0.0 110.689 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.46 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 3.0 p -106.36 5.9 29.98 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.245 -179.524 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 1.005 HD13 ' HB ' ' A' ' 18' ' ' THR . 19.9 tp -136.95 136.32 38.46 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.111 0.481 . . . . 0.0 111.169 -179.573 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.473 ' H ' HD12 ' B' ' 12' ' ' LEU . 27.4 mtpp -145.19 145.53 31.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.112 179.82 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.534 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -179.31 -168.61 38.57 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 119.96 -1.114 . . . . 0.0 113.308 -179.894 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -145.28 137.61 25.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.011 0.434 . . . . 0.0 110.53 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.757 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -134.03 168.48 18.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.888 -179.792 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.432 HG22 ' HA ' ' B' ' 4' ' ' LYS . 66.0 p -143.52 117.29 9.3 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -179.057 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.997 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.5 t -104.69 141.26 36.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.809 178.383 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -99.34 113.01 25.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.354 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.538 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -147.78 150.13 33.65 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 121.24 0.543 . . . . 0.0 112.19 -178.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.83 -29.82 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.11 -178.727 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.469 ' OD1' HG23 ' B' ' 25' ' ' THR . 6.4 p-10 -154.72 172.03 18.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.972 0.415 . . . . 0.0 111.489 179.659 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.453 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -57.45 -41.35 80.35 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.365 -179.714 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.78 -54.61 32.44 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.42 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.862 ' O ' HG23 ' B' ' 29' ' ' VAL . 36.2 p -53.29 -44.46 68.31 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.177 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.796 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.7 -51.74 68.51 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.418 177.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 88.7 tt0 -54.73 -46.2 74.21 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.536 179.39 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -63.57 -47.25 82.26 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.235 179.42 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.862 HG23 ' O ' ' B' ' 25' ' ' THR . 95.9 t -53.8 -42.54 52.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.895 179.138 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.796 HG23 ' O ' ' B' ' 26' ' ' ALA . 40.3 t -62.02 -44.71 99.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.453 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.524 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 29.1 mmtp -46.76 -52.14 14.71 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 121.226 0.536 . . . . 0.0 109.588 178.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -59.56 -38.18 80.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.636 179.287 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.881 ' CG ' HD23 ' A' ' 12' ' ' LEU . 52.1 t80 -53.72 -63.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.269 179.374 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -68.16 -39.15 82.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.653 179.259 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.516 ' ND2' HG21 ' A' ' 39' ' ' VAL . 34.3 t-20 -50.97 -39.1 54.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.461 0.648 . . . . 0.0 110.328 178.481 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.66 -22.88 17.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.332 -179.704 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.481 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.4 m-20 -80.28 -46.14 16.7 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.329 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.34 -116.32 0.0 OUTLIER Glycine 0 CA--C 1.52 0.367 0 CA-C-N 114.805 -1.089 . . . . 0.0 115.403 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.652 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.9 t -110.12 4.39 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 -176.125 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.45 13.72 8.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 118.56 0.618 . . . . 0.0 112.16 -179.814 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.45 170.94 53.87 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.037 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 0.5 OUTLIER -97.35 105.68 17.87 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.239 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.579 ' HH2' HG12 ' A' ' 30' ' ' VAL . 7.6 m0 -103.68 123.96 47.96 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -178.218 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.441 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 63.8 p -112.11 138.39 48.84 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.026 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.496 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 9.2 t80 -111.78 145.33 39.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.952 0.406 . . . . 0.0 111.756 -178.735 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.461 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.5 t0 -123.64 82.91 2.07 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.684 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.433 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 14.5 m-20 -45.42 -34.57 3.18 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.833 -179.568 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.461 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.62 -34.51 18.3 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -178.716 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 67.9 p -128.18 16.67 6.67 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 15.5 mttp 47.93 36.85 6.62 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.013 0.435 . . . . 0.0 110.551 -179.587 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.844 HG23 ' O ' ' A' ' 4' ' ' LYS . 93.3 m -122.86 139.05 54.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.265 -179.226 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.496 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.4 m-85 -107.22 145.1 33.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.976 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.441 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 2.8 p -117.2 121.52 41.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.17 0.51 . . . . 0.0 110.996 178.771 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.0 t -102.55 107.45 21.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.499 179.73 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.681 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 17.3 m -97.9 114.1 26.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.012 179.761 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.526 ' CG ' ' HG2' ' A' ' 10' ' ' LYS . 2.1 pp20? . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.234 -0.888 . . . . 0.0 111.483 -178.649 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.74 0.305 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.427 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 17.2 m-85 -127.52 146.75 50.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.614 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.814 ' O ' HG23 ' B' ' 51' ' ' THR . 88.7 tttt -107.92 111.25 23.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.956 -179.668 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.602 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.3 t -94.78 127.7 46.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.284 0.564 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.407 ' HB ' HG22 ' B' ' 53' ' ' THR . 67.8 mt -101.71 122.2 53.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.427 ' CD1' ' CD1' ' B' ' 7' ' ' LEU . 8.8 mt -101.36 82.45 2.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.704 179.79 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.563 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.8 t-20 -93.65 109.83 21.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.881 -178.268 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.09 -168.21 13.99 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.951 179.329 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.483 ' NZ ' ' HB3' ' A' ' 10' ' ' LYS . 7.6 mtpm? -86.69 -56.94 3.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.05 0.452 . . . . 0.0 110.231 179.504 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.3 p -96.22 -5.65 39.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.638 179.414 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.962 HD13 ' HB ' ' B' ' 18' ' ' THR . 13.6 tp -134.88 135.75 41.87 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.047 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.545 ' H ' HD12 ' A' ' 12' ' ' LEU . 27.5 mtpp -144.85 144.34 31.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.543 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.87 -168.8 39.35 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.138 -1.03 . . . . 0.0 113.274 -179.897 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -145.66 151.97 38.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.875 0.369 . . . . 0.0 110.698 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.746 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -150.53 168.98 22.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.009 -179.47 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 4' ' ' LYS . 63.2 p -143.79 120.93 11.47 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -179.027 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.951 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.1 t -108.33 147.57 31.3 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.762 178.589 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -108.08 118.53 37.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.65 0.262 . . . . 0.0 110.389 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.24 152.12 35.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.19 0.519 . . . . 0.0 112.007 -179.34 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -50.9 -28.4 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.538 -179.229 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.458 ' OD1' HG23 ' A' ' 25' ' ' THR . 5.7 p-10 -153.01 170.79 19.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.976 0.417 . . . . 0.0 111.511 179.561 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.548 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -57.29 -41.65 80.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.341 -179.672 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.14 -55.32 26.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.045 179.238 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.9 ' O ' HG23 ' A' ' 29' ' ' VAL . 29.9 p -51.69 -45.06 63.35 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.396 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.653 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.83 -52.26 65.83 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.12 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.539 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 44.2 tt0 -52.81 -48.71 66.73 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.748 178.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -59.0 -40.72 85.75 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.732 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 25' ' ' THR . 62.7 t -60.77 -34.86 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.966 179.272 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 26' ' ' ALA . 10.6 t -67.29 -49.44 72.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.876 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 3.5 mptp? -47.27 -45.45 23.97 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.165 0.507 . . . . 0.0 109.925 178.354 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.549 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 64.0 tt0 -68.85 -39.79 79.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.717 179.329 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.886 ' CG ' HD23 ' B' ' 12' ' ' LEU . 65.3 t80 -51.3 -50.1 60.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.42 178.64 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.493 ' CE2' HG12 ' A' ' 30' ' ' VAL . 25.2 m-85 -77.19 -36.8 54.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.15 178.496 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.555 HD22 HG21 ' B' ' 39' ' ' VAL . 25.2 t-20 -50.52 -40.64 52.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.491 0.662 . . . . 0.0 109.755 178.16 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -94.52 -24.34 17.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.738 -1.119 . . . . 0.0 112.719 -179.356 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 90.7 m-20 -78.74 -46.61 18.54 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.442 178.718 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.57 -120.34 0.0 OUTLIER Glycine 0 C--N 1.335 0.508 0 CA-C-N 114.886 -1.052 . . . . 0.0 115.584 179.327 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 39' ' ' VAL . 43.0 t -111.41 4.57 8.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -176.592 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.41 12.27 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.812 -0.555 . . . . 0.0 111.971 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.44 174.25 54.3 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.571 -0.824 . . . . 0.0 113.078 -179.477 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -95.55 102.91 14.75 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.743 0.306 . . . . 0.0 110.515 179.591 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.535 ' HH2' HG12 ' B' ' 30' ' ' VAL . 6.4 m0 -102.89 122.05 43.75 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.39 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 51.7 p -105.19 133.79 49.38 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.563 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 15.7 t80 -111.03 144.9 39.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.024 0.44 . . . . 0.0 112.013 -178.491 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.47 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.4 t0 -123.79 81.72 1.94 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.241 178.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.12 -36.04 12.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 111.586 -179.329 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.47 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.24 -29.43 9.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.888 -179.485 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.5 p -128.27 11.4 6.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.597 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm 49.47 34.29 6.59 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.01 0.433 . . . . 0.0 110.752 -179.779 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.809 HG23 ' O ' ' B' ' 4' ' ' LYS . 97.4 m -120.51 136.77 54.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.95 -179.371 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.548 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 3.3 m-85 -106.29 144.6 32.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.159 179.62 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.407 HG22 ' HB ' ' B' ' 6' ' ' ILE . 2.9 p -121.25 128.54 52.49 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.213 0.53 . . . . 0.0 111.089 179.084 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.417 HG12 ' OD1' ' A' ' 37' ' ' ASN . 47.1 t -107.66 109.54 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.578 179.196 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.568 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 9.2 m -100.61 115.81 31.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.104 0.478 . . . . 0.0 111.718 -178.874 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.987 179.774 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.863 0.363 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -107.56 144.41 34.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.543 179.67 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.42 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 17.3 m-85 -127.47 146.8 50.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.664 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.809 ' O ' HG23 ' A' ' 51' ' ' THR . 88.6 tttt -107.93 111.3 23.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.0 -179.75 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.597 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.3 t -94.72 127.69 46.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.205 0.526 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.407 ' HB ' HG22 ' A' ' 53' ' ' THR . 67.8 mt -101.78 122.23 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 8.9 mt -101.38 82.29 2.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.722 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.568 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.6 t-20 -93.59 109.78 21.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.871 -178.201 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.03 -168.13 13.98 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.999 179.302 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.481 ' NZ ' ' HB3' ' B' ' 10' ' ' LYS . 7.7 mtpm? -86.75 -56.93 3.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.086 0.47 . . . . 0.0 110.214 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 16.5 p -96.24 -5.77 39.57 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.527 179.482 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.951 HD13 ' HB ' ' A' ' 18' ' ' THR . 13.4 tp -134.83 135.78 41.98 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 -179.771 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.545 ' H ' HD12 ' B' ' 12' ' ' LEU . 27.6 mtpp -144.85 144.34 31.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.517 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.87 -168.77 39.29 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.134 -1.032 . . . . 0.0 113.27 -179.908 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -145.72 151.91 38.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.751 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.753 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -150.52 169.01 22.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.998 -179.451 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.525 HG22 ' HA ' ' B' ' 4' ' ' LYS . 63.1 p -143.77 120.89 11.45 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -178.914 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.962 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.0 t -108.43 147.49 31.54 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.726 178.56 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -107.93 118.56 37.06 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.569 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -149.29 152.09 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.09 0.471 . . . . 0.0 112.07 -179.363 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.88 -28.51 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.437 -179.191 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.46 ' OD1' HG23 ' B' ' 25' ' ' THR . 5.8 p-10 -152.97 170.94 19.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 0.0 111.552 179.594 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.548 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -57.38 -41.63 80.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.327 -179.679 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.09 -55.53 24.63 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.313 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.9 ' O ' HG23 ' B' ' 29' ' ' VAL . 30.8 p -51.52 -45.16 62.82 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.442 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.651 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.8 -52.37 65.38 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.144 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.543 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 44.1 tt0 -52.79 -48.69 66.68 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.652 179.042 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -59.01 -40.73 85.84 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.899 179.714 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.9 HG23 ' O ' ' B' ' 25' ' ' THR . 62.4 t -60.74 -34.81 60.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.021 179.262 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.651 HG23 ' O ' ' B' ' 26' ' ' ALA . 10.7 t -67.4 -49.45 71.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.956 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.543 ' HD3' ' O ' ' B' ' 27' ' ' GLU . 3.5 mptp? -47.31 -45.49 24.38 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.302 0.572 . . . . 0.0 109.836 178.461 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.543 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 63.9 tt0 -68.88 -39.75 79.61 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.693 179.471 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.89 ' CG ' HD23 ' A' ' 12' ' ' LEU . 64.9 t80 -51.28 -50.01 60.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.508 178.495 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.499 ' CE2' HG12 ' B' ' 30' ' ' VAL . 25.2 m-85 -77.32 -36.85 53.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.99 178.6 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.559 HD22 HG21 ' A' ' 39' ' ' VAL . 25.0 t-20 -50.56 -40.66 52.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.553 0.692 . . . . 0.0 109.699 178.29 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -94.53 -24.22 17.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.812 -179.425 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 90.7 m-20 -78.87 -46.45 18.52 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.408 178.667 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.62 -120.34 0.0 OUTLIER Glycine 0 C--N 1.334 0.472 0 N-CA-C 115.55 0.98 . . . . 0.0 115.55 179.311 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' B' ' 39' ' ' VAL . 43.2 t -111.48 4.73 8.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -176.661 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.4 12.15 8.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.893 -0.504 . . . . 0.0 111.939 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.42 174.26 54.32 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.124 -179.504 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -95.6 102.66 14.48 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.736 0.303 . . . . 0.0 110.563 179.71 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.541 ' HH2' HG12 ' A' ' 30' ' ' VAL . 6.4 m0 -102.74 122.12 43.83 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.36 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.442 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 49.8 p -105.19 133.9 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 177.535 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 15.6 t80 -111.03 145.02 39.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.05 0.453 . . . . 0.0 112.017 -178.538 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.47 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.4 t0 -123.99 81.86 1.96 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.161 178.962 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.2 -36.05 12.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.567 -179.37 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.47 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.19 -29.42 9.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.864 -179.467 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 76.4 p -128.25 11.3 6.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.601 0.238 . . . . 0.0 111.577 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm 49.53 34.2 6.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.024 0.44 . . . . 0.0 110.761 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.814 HG23 ' O ' ' A' ' 4' ' ' LYS . 97.4 m -120.5 136.8 54.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.025 -179.496 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.548 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 3.3 m-85 -106.27 144.56 32.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.17 179.683 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.442 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 2.9 p -121.22 128.63 52.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.194 0.521 . . . . 0.0 111.083 179.112 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.414 HG12 ' OD1' ' B' ' 37' ' ' ASN . 47.4 t -107.74 109.6 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.563 179.226 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.563 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 9.4 m -100.59 115.86 31.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.949 0.404 . . . . 0.0 111.691 -178.792 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.92 179.878 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.7 0.286 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.412 ' O ' ' HA ' ' A' ' 17' ' ' THR . 74.5 m-85 -129.87 145.45 51.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.588 179.904 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' B' ' 51' ' ' THR . 38.5 ttpt -112.57 110.93 21.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.952 0.406 . . . . 0.0 110.547 179.829 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.707 HG13 ' O ' ' B' ' 52' ' ' PHE . 58.9 t -93.95 131.64 40.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.368 0.604 . . . . 0.0 111.091 -179.481 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.608 ' CD1' HG21 ' B' ' 51' ' ' THR . 82.9 mt -100.93 126.76 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.328 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.514 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.0 mt -105.85 85.79 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.324 -179.173 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.729 ' O ' ' HA ' ' B' ' 55' ' ' THR . 72.9 m-20 -89.87 102.07 14.77 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.416 -178.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.15 149.99 17.99 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.233 179.165 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -44.81 -56.6 4.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.886 0.374 . . . . 0.0 111.833 -179.598 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.474 ' HB ' HG11 ' B' ' 29' ' ' VAL . 9.5 p -99.42 -4.88 30.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.984 -178.762 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.939 HD13 ' HB ' ' B' ' 18' ' ' THR . 13.6 tp -135.25 136.44 41.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.663 0.268 . . . . 0.0 110.985 -179.532 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.562 ' H ' HD12 ' A' ' 12' ' ' LEU . 51.2 mtmt -145.34 144.72 30.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.521 179.623 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.546 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.8 -168.75 39.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.073 -1.061 . . . . 0.0 113.55 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.418 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 54.4 mp0 -143.78 140.18 29.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.864 0.364 . . . . 0.0 110.382 179.708 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.794 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -137.86 168.79 18.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.189 -179.611 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 4' ' ' LYS . 72.3 p -143.75 119.55 10.54 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.906 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.94 ' HB ' HD13 ' B' ' 12' ' ' LEU . 8.9 t -108.15 144.2 35.88 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.581 178.757 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -103.77 115.24 30.11 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 179.607 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.653 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -147.55 149.94 33.55 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 121.232 0.539 . . . . 0.0 111.984 -179.264 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.5 t -51.06 -36.98 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.965 -178.959 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.67 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -146.18 171.86 14.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.941 0.401 . . . . 0.0 111.161 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.85 87.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.506 -179.447 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.07 -55.02 33.31 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.566 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.872 ' O ' HG23 ' A' ' 29' ' ' VAL . 76.1 p -51.9 -46.02 64.43 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.361 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.12 -53.79 54.34 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.816 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.479 ' OE2' ' CE3' ' B' ' 43' ' ' TRP . 15.7 tp10 -49.19 -48.61 45.09 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.593 178.621 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -64.17 -45.76 86.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.28 179.397 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 25' ' ' THR . 84.6 t -59.87 -40.05 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.273 179.294 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 26' ' ' ALA . 46.7 t -66.57 -49.3 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.523 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.513 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 10.0 mtpm? -49.62 -43.78 46.89 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.047 0.451 . . . . 0.0 110.003 178.666 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.405 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 35.0 tp60 -60.41 -35.87 76.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.327 178.847 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.81 ' CG ' HD23 ' B' ' 12' ' ' LEU . 23.1 t80 -54.13 -63.71 1.06 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.142 179.207 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.479 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 23.8 m-85 -68.3 -39.78 81.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.546 179.486 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.462 HD22 HG22 ' B' ' 39' ' ' VAL . 28.9 t-20 -51.08 -38.09 49.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.523 0.678 . . . . 0.0 109.503 178.336 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -94.51 -26.03 16.6 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 114.752 -1.113 . . . . 0.0 112.606 -179.622 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.458 ' O ' ' C ' ' A' ' 38' ' ' GLY . 86.9 m-20 -77.33 -43.35 33.32 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.186 0.517 . . . . 0.0 109.818 179.148 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.85 -117.97 0.0 OUTLIER Glycine 0 C--N 1.332 0.324 0 CA-C-N 114.43 -1.259 . . . . 0.0 115.666 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.478 HG22 HD22 ' B' ' 35' ' ' ASN . 69.9 t -84.34 -55.53 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -176.005 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -88.21 25.89 1.52 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -177.12 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.73 159.26 53.76 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 119.895 -1.145 . . . . 0.0 112.01 179.404 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -90.43 98.74 11.95 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.814 0.307 . . . . 0.0 110.306 179.528 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.549 ' CH2' HG12 ' B' ' 30' ' ' VAL . 5.4 m0 -101.36 120.74 40.72 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.368 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.2 p -104.35 133.44 49.24 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.814 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.501 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 14.2 t80 -108.69 141.97 39.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.036 0.446 . . . . 0.0 111.868 -178.851 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -123.59 81.41 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.353 178.944 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.11 -34.37 5.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.545 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.03 -32.52 15.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.025 -179.402 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -128.1 13.02 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.686 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm 53.58 31.94 13.45 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.829 0.347 . . . . 0.0 110.422 -179.777 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.602 HG21 ' CD1' ' B' ' 6' ' ' ILE . 96.8 m -111.78 136.3 51.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.637 -178.896 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.71 ' O ' HG13 ' B' ' 5' ' ' VAL . 4.8 m-85 -108.7 95.35 5.59 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.232 0.539 . . . . 0.0 111.693 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.5 p -75.42 127.27 32.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.891 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -117.86 121.74 68.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.462 178.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.737 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 19.4 m -117.25 128.77 55.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.89 0.376 . . . . 0.0 111.636 -179.108 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.864 -179.75 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.947 0.403 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -102.08 135.98 42.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.586 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' B' ' 17' ' ' THR . 75.8 m-85 -129.98 145.75 51.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.542 179.882 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 51' ' ' THR . 38.5 ttpt -112.77 110.92 21.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.538 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 52' ' ' PHE . 57.8 t -93.91 131.67 40.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.274 0.559 . . . . 0.0 111.147 -179.528 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.602 ' CD1' HG21 ' A' ' 51' ' ' THR . 82.6 mt -100.91 126.68 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.326 179.633 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.2 mt -105.92 85.89 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.355 -179.274 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.737 ' O ' ' HA ' ' A' ' 55' ' ' THR . 72.8 m-20 -89.74 102.03 14.72 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.386 -178.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.02 150.1 18.01 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.25 179.084 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -44.99 -56.55 4.52 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.472 ' HB ' HG11 ' A' ' 29' ' ' VAL . 9.7 p -99.31 -5.2 30.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.007 -178.748 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.94 HD13 ' HB ' ' A' ' 18' ' ' THR . 13.6 tp -134.99 136.51 42.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.639 0.256 . . . . 0.0 111.03 -179.543 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.562 ' H ' HD12 ' B' ' 12' ' ' LEU . 51.4 mtmt -145.43 144.61 30.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.517 179.685 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.543 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.9 -169.0 39.64 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.069 -1.063 . . . . 0.0 113.599 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 54.5 mp0 -143.67 140.08 29.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.024 0.44 . . . . 0.0 110.277 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.794 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -137.64 168.84 18.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.22 -179.606 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.493 HG22 ' HA ' ' B' ' 4' ' ' LYS . 72.5 p -143.83 119.64 10.55 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -178.943 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.939 ' HB ' HD13 ' A' ' 12' ' ' LEU . 8.9 t -108.26 144.08 36.22 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.65 178.684 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -103.73 115.19 30.03 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.665 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.647 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -147.52 149.92 33.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.19 0.519 . . . . 0.0 112.041 -179.245 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.4 t -51.17 -36.78 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.993 -178.781 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.671 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -146.19 171.81 14.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.776 0.322 . . . . 0.0 111.287 179.64 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.99 87.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.518 -179.441 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.8 -55.3 31.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.501 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.872 ' O ' HG23 ' B' ' 29' ' ' VAL . 74.8 p -51.67 -46.12 63.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.411 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.764 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.14 -53.64 55.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.885 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.473 ' OE2' ' CE3' ' A' ' 43' ' ' TRP . 15.7 tp10 -49.27 -48.48 45.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.55 178.627 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -64.32 -45.53 87.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.388 179.373 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.872 HG23 ' O ' ' B' ' 25' ' ' THR . 84.3 t -60.1 -40.02 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.202 179.256 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.764 HG23 ' O ' ' B' ' 26' ' ' ALA . 46.7 t -66.63 -49.34 75.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.553 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.507 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 10.0 mtpm? -49.61 -43.81 46.79 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 121.036 0.446 . . . . 0.0 109.954 178.697 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.403 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 35.0 tp60 -60.27 -35.87 76.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.37 178.781 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.803 ' CG ' HD23 ' A' ' 12' ' ' LEU . 23.4 t80 -54.22 -63.71 1.06 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.024 179.264 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.479 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 23.8 m-85 -68.35 -39.72 81.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.488 179.595 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.478 HD22 HG22 ' A' ' 39' ' ' VAL . 28.9 t-20 -51.05 -38.24 50.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.505 0.669 . . . . 0.0 109.416 178.335 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -94.47 -25.89 16.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.594 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' B' ' 38' ' ' GLY . 86.9 m-20 -77.53 -43.26 32.6 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.119 0.485 . . . . 0.0 109.701 179.263 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.93 -117.97 0.0 OUTLIER Glycine 0 C--N 1.331 0.272 0 CA-C-N 114.48 -1.236 . . . . 0.0 115.685 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.462 HG22 HD22 ' A' ' 35' ' ' ASN . 68.8 t -84.3 -55.21 7.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 -175.985 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -88.57 25.89 1.6 Allowed 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -177.186 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.57 159.28 53.68 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 119.889 -1.148 . . . . 0.0 112.078 179.286 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -90.6 98.69 11.92 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.825 0.313 . . . . 0.0 110.306 179.607 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.549 ' CH2' HG12 ' A' ' 30' ' ' VAL . 5.4 m0 -101.08 120.74 40.64 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -178.43 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 67.3 p -104.34 133.79 48.64 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.723 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 14.2 t80 -109.02 141.98 40.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.111 0.481 . . . . 0.0 111.834 -178.914 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -123.59 81.45 1.9 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.227 179.073 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.02 -34.49 5.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.551 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.1 -32.42 15.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.016 -179.23 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 72.4 p -128.0 12.88 6.74 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.752 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm 53.63 31.91 13.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.851 0.358 . . . . 0.0 110.484 -179.733 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.608 HG21 ' CD1' ' A' ' 6' ' ' ILE . 96.3 m -111.69 136.32 51.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.585 -178.895 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.707 ' O ' HG13 ' A' ' 5' ' ' VAL . 4.9 m-85 -108.82 95.51 5.7 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.322 0.582 . . . . 0.0 111.63 179.679 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.6 p -75.41 126.97 32.09 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.965 179.703 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -117.72 121.94 68.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.383 178.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.729 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 19.5 m -117.28 128.76 55.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 0.0 111.582 -179.032 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.946 -179.754 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 . . . . . 0 N--CA 1.456 -0.137 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.44 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 19.8 m-85 -127.25 143.45 51.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.947 0.403 . . . . 0.0 111.027 -179.626 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.823 ' O ' HG23 ' B' ' 51' ' ' THR . 62.5 tttp -108.75 109.82 21.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.412 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.681 HG13 ' O ' ' B' ' 52' ' ' PHE . 61.7 t -94.84 137.56 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.06 0.457 . . . . 0.0 111.12 -179.701 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.438 HG13 ' CG2' ' B' ' 51' ' ' THR . 82.8 mt -109.1 125.8 66.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.246 179.483 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.478 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.2 mt -102.2 82.31 2.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.804 -179.675 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.687 ' O ' ' HA ' ' B' ' 55' ' ' THR . 30.2 t-20 -91.5 108.95 20.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.692 -178.457 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.82 -169.29 15.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.139 179.347 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -80.76 -53.27 6.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.921 0.391 . . . . 0.0 110.309 179.407 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.431 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 17.5 p -104.84 1.08 28.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.042 -179.791 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.002 HD13 ' HB ' ' B' ' 18' ' ' THR . 20.9 tp -137.98 137.4 37.88 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.043 0.449 . . . . 0.0 111.682 -179.07 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.486 ' H ' HD12 ' A' ' 12' ' ' LEU . 1.2 mptp? -142.56 144.75 33.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.935 179.284 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.431 ' HA3' ' HB ' ' B' ' 16' ' ' THR . . . -173.28 -176.82 42.08 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 119.91 -1.138 . . . . 0.0 113.505 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -140.71 135.27 31.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.279 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.796 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -137.27 166.87 22.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.342 -179.182 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 4' ' ' LYS . 54.8 p -143.77 119.55 10.53 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -179.12 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.997 ' HB ' HD13 ' B' ' 12' ' ' LEU . 15.4 t -108.14 146.19 33.05 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.961 178.939 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -106.23 117.01 32.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.678 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.613 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -148.41 150.58 33.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.171 0.51 . . . . 0.0 111.891 -179.737 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.2 t -50.84 -27.19 4.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.067 -178.83 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.582 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -153.9 175.46 13.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.0 111.319 179.592 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.61 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -60.26 -42.87 96.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.397 -179.595 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -62.82 -55.26 27.95 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.6 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.87 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.9 p -50.68 -45.6 58.27 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.247 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.692 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.97 -54.38 46.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.292 177.949 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.501 ' OE2' ' HD3' ' A' ' 31' ' ' LYS . 5.1 tm-20 -52.82 -46.39 67.71 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.367 179.004 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 74.7 mmtt -62.25 -43.93 97.71 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.28 179.15 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 25' ' ' THR . 95.8 t -59.03 -39.03 77.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.136 179.137 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 26' ' ' ALA . 38.9 t -64.13 -47.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.486 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HD3' ' OE2' ' A' ' 27' ' ' GLU . 32.0 mmmt -47.46 -50.09 23.91 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.219 0.533 . . . . 0.0 109.843 178.85 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -59.32 -37.95 79.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.642 179.411 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.925 ' CG ' HD23 ' B' ' 12' ' ' LEU . 42.7 t80 -53.37 -64.23 0.89 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.102 179.108 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -67.46 -39.15 85.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.633 179.358 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 31.7 t-20 -50.78 -38.78 50.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.475 0.655 . . . . 0.0 109.912 178.519 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -94.3 -23.28 17.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.931 -1.031 . . . . 0.0 112.501 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.468 ' O ' ' C ' ' A' ' 38' ' ' GLY . 22.4 m120 -80.64 -46.41 15.68 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.953 179.324 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.99 -115.66 0.0 OUTLIER Glycine 0 C--N 1.333 0.362 0 N-CA-C 115.612 1.005 . . . . 0.0 115.612 179.831 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 39' ' ' VAL . 26.0 t -105.85 0.05 10.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -176.072 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.79 15.0 8.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 119.064 0.847 . . . . 0.0 112.208 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.99 166.67 53.06 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.62 -0.8 . . . . 0.0 113.406 -179.387 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 45.1 mp0 -94.8 100.7 12.55 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.245 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.532 ' HH2' HG12 ' B' ' 30' ' ' VAL . 8.0 m0 -99.98 121.6 41.61 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -178.117 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.8 p -101.39 134.49 44.4 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.097 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.532 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 3.7 t80 -107.87 137.79 45.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.792 0.33 . . . . 0.0 111.44 -178.769 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -123.42 81.78 1.93 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.51 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.426 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 7.5 m-20 -46.82 -36.33 7.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.441 -179.652 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.41 -32.08 25.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.089 -179.29 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.1 p -123.04 11.59 9.55 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.313 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HA ' ' CE ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER 50.26 36.83 13.53 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.852 0.358 . . . . 0.0 110.728 179.862 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.827 HG23 ' O ' ' B' ' 4' ' ' LYS . 99.5 m -123.66 143.49 50.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.8 -178.66 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.681 ' O ' HG13 ' B' ' 5' ' ' VAL . 90.0 m-85 -111.46 94.91 5.2 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.274 0.559 . . . . 0.0 111.846 179.696 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -72.74 127.6 33.04 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.252 179.4 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.2 t -111.99 111.05 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.237 179.602 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.685 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 29.8 m -103.36 118.99 38.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.561 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.406 ' HG3' ' HA2' ' B' ' 9' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.832 -179.66 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.6 ttp . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.857 0.361 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -98.86 136.95 38.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.983 179.357 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.445 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 19.9 m-85 -127.33 143.48 51.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.888 0.375 . . . . 0.0 111.083 -179.641 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.827 ' O ' HG23 ' A' ' 51' ' ' THR . 62.4 tttp -108.85 109.77 20.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.377 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.681 HG13 ' O ' ' A' ' 52' ' ' PHE . 61.4 t -94.74 137.56 22.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.067 0.46 . . . . 0.0 111.01 -179.669 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.433 HG13 ' CG2' ' A' ' 51' ' ' THR . 82.8 mt -109.01 125.97 66.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.249 179.348 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.2 mt -102.35 82.21 2.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.864 -179.762 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.685 ' O ' ' HA ' ' A' ' 55' ' ' THR . 30.4 t-20 -91.42 108.91 20.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.758 -178.466 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.406 ' HA2' ' HG3' ' A' ' 56' ' ' GLU . . . -116.85 -169.34 15.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.123 179.473 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -80.83 -53.16 6.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.971 0.415 . . . . 0.0 110.303 179.42 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.432 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 17.5 p -104.92 1.06 28.49 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.029 -179.775 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.997 HD13 ' HB ' ' A' ' 18' ' ' THR . 21.3 tp -137.93 137.53 38.09 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.054 0.454 . . . . 0.0 111.657 -179.07 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.482 ' H ' HD12 ' B' ' 12' ' ' LEU . 1.2 mptp? -142.62 144.74 32.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.902 179.318 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.433 ' HA3' ' HB ' ' A' ' 16' ' ' THR . . . -173.25 -176.88 42.09 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 119.943 -1.123 . . . . 0.0 113.433 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -140.71 135.34 31.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 110.302 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.795 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -137.36 166.9 22.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.271 -179.204 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.525 HG22 ' HA ' ' B' ' 4' ' ' LYS . 56.3 p -143.75 119.43 10.46 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -179.117 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 18' ' ' THR . . . . . 1.002 ' HB ' HD13 ' A' ' 12' ' ' LEU . 15.3 t -107.98 146.39 32.54 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.984 178.912 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -106.48 116.95 32.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.657 0.265 . . . . 0.0 110.652 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.614 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -148.15 150.5 33.92 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.122 0.487 . . . . 0.0 111.906 -179.684 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.2 t -50.82 -27.18 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.012 -178.874 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.581 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -153.99 175.38 13.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.794 0.331 . . . . 0.0 111.298 179.646 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.61 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -60.2 -42.9 96.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.429 -179.556 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -62.69 -55.34 27.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.435 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.873 ' O ' HG23 ' B' ' 29' ' ' VAL . 51.6 p -50.54 -45.76 57.04 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.198 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.704 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.0 -54.44 46.08 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.208 178.017 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.507 ' OE2' ' HD3' ' B' ' 31' ' ' LYS . 5.1 tm-20 -52.83 -46.34 67.72 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.255 179.073 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' B' ' 24' ' ' ALA . 74.7 mmtt -62.26 -44.2 97.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.204 179.272 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.873 HG23 ' O ' ' B' ' 25' ' ' THR . 97.0 t -58.78 -39.09 75.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.087 179.24 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 26' ' ' ALA . 38.9 t -64.06 -47.59 89.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.455 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.507 ' HD3' ' OE2' ' B' ' 27' ' ' GLU . 31.9 mmmt -47.4 -50.08 23.33 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.199 0.523 . . . . 0.0 109.882 178.821 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -59.39 -38.0 79.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.699 179.404 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.918 ' CG ' HD23 ' A' ' 12' ' ' LEU . 42.7 t80 -53.37 -64.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.05 179.105 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -67.48 -39.14 85.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.593 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' B' ' 31' ' ' LYS . 32.0 t-20 -50.93 -38.73 51.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.413 0.625 . . . . 0.0 109.912 178.533 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -94.33 -23.17 17.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.406 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' B' ' 38' ' ' GLY . 22.6 m120 -80.77 -46.34 15.57 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.605 -0.438 . . . . 0.0 109.958 179.311 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.19 -115.53 0.0 OUTLIER Glycine 0 CA--C 1.52 0.38 0 CA-C-N 114.99 -1.004 . . . . 0.0 115.463 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.628 HG12 ' O ' ' B' ' 39' ' ' VAL . 25.5 t -105.82 -0.13 10.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -176.09 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.72 15.21 8.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 119.113 0.87 . . . . 0.0 112.041 -179.767 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.94 166.67 53.11 Favored Glycine 0 CA--C 1.519 0.344 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.298 -179.462 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.459 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 45.2 mp0 -94.68 100.97 12.81 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.231 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.537 ' HH2' HG12 ' A' ' 30' ' ' VAL . 7.9 m0 -100.22 121.49 41.53 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -178.249 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 65.0 p -101.31 134.42 44.4 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.11 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.535 ' CD1' ' CE1' ' B' ' 52' ' ' PHE . 3.8 t80 -107.79 137.78 45.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.719 0.295 . . . . 0.0 111.511 -178.834 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -123.37 81.64 1.91 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.668 179.525 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.424 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 7.5 m-20 -46.74 -36.32 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.428 -179.507 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.4 -31.98 24.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.169 -179.298 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.7 p -123.1 11.55 9.51 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.245 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.425 ' CE ' ' HA ' ' B' ' 50' ' ' LYS . 0.0 OUTLIER 50.26 36.88 13.65 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.802 0.334 . . . . 0.0 110.707 179.843 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.823 HG23 ' O ' ' A' ' 4' ' ' LYS . 99.7 m -123.71 143.6 50.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.83 -178.732 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.681 ' O ' HG13 ' A' ' 5' ' ' VAL . 89.8 m-85 -111.51 94.96 5.23 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.12 0.486 . . . . 0.0 111.894 179.69 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -72.73 127.77 33.54 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.316 179.426 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 67.3 t -112.16 111.04 34.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.199 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.687 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 30.4 m -103.49 119.01 38.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 -179.432 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.148 -0.929 . . . . 0.0 110.762 -179.64 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -123.7 147.29 47.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.98 0.419 . . . . 0.0 111.204 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.746 ' O ' HG23 ' B' ' 51' ' ' THR . 0.1 OUTLIER -96.55 108.62 21.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.558 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.619 ' HB ' HG23 ' A' ' 16' ' ' THR . 75.9 t -97.32 116.89 40.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.135 0.493 . . . . 0.0 110.22 179.491 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' B' ' 53' ' ' THR . 62.1 mt -101.86 126.1 55.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.507 -179.085 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.581 HD21 ' CZ ' ' A' ' 34' ' ' PHE . 47.4 mt -107.35 91.93 3.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.24 179.799 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.736 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.5 m120 -100.13 109.25 21.52 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.285 -179.087 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.38 -169.76 15.46 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.714 178.837 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -85.68 -53.37 5.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.239 0.543 . . . . 0.0 110.0 179.204 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.596 ' HB ' HG11 ' B' ' 29' ' ' VAL . 10.0 p -98.89 -5.55 30.61 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.78 179.793 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.955 HD13 ' HB ' ' B' ' 18' ' ' THR . 16.4 tp -135.45 135.76 40.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.194 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.515 ' H ' HD12 ' A' ' 12' ' ' LEU . 58.4 mttp -145.03 144.39 30.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.171 179.875 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.552 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -179.68 -168.35 38.37 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 119.911 -1.138 . . . . 0.0 113.596 -179.856 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -145.82 142.38 28.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.956 0.407 . . . . 0.0 110.81 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.719 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -141.38 169.09 18.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.815 -179.652 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.455 ' O ' HD12 ' B' ' 12' ' ' LEU . 67.9 p -143.42 121.97 12.48 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -178.589 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.954 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.6 t -108.97 146.13 34.35 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.588 178.451 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -107.33 116.28 31.66 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 179.666 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.73 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -145.05 149.29 34.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.145 0.498 . . . . 0.0 111.85 -179.556 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.5 t -50.97 -26.68 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.802 -179.012 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.479 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -155.89 178.41 10.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.866 0.365 . . . . 0.0 111.467 179.636 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.92 99.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.431 -179.62 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.51 -54.84 37.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.088 179.354 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.851 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.9 p -50.5 -45.34 56.38 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.283 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.779 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -58.44 -51.63 69.05 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.284 177.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.66 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 17.0 tp10 -50.09 -51.19 44.79 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.743 179.127 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -64.39 -49.25 72.33 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 179.475 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 25' ' ' THR . 63.7 t -54.97 -41.78 60.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.02 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 26' ' ' ALA . 66.6 t -66.68 -49.51 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 177.685 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.66 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 4.3 mmmp? -46.77 -49.28 20.02 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.484 178.625 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -61.39 -34.44 75.33 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.277 -179.126 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.845 ' CG ' HD23 ' B' ' 12' ' ' LEU . 24.8 t80 -51.61 -72.21 0.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.11 179.206 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.581 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 31.3 m-85 -61.61 -37.47 84.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.616 ' ND2' HG22 ' B' ' 39' ' ' VAL . 28.4 t-20 -51.27 -38.67 54.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.434 0.635 . . . . 0.0 109.793 178.655 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.52 -24.12 17.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.525 -179.892 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' GLY . 85.0 m-20 -80.15 -43.18 22.06 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.014 0.435 . . . . 0.0 110.351 179.795 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.88 -114.6 0.0 OUTLIER Glycine 0 CA--C 1.521 0.411 0 CA-C-N 114.676 -1.147 . . . . 0.0 115.785 -179.847 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.611 HG22 ' ND2' ' B' ' 35' ' ' ASN . 96.2 t -82.01 -55.38 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 -176.041 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -89.9 25.48 2.08 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -177.29 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.1 144.5 47.98 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.163 -1.018 . . . . 0.0 112.407 179.537 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -80.85 93.55 6.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.754 0.311 . . . . 0.0 110.328 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.611 ' CH2' HG12 ' B' ' 30' ' ' VAL . 6.1 m0 -106.52 133.9 50.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.959 -178.873 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.0 p -113.13 143.88 43.61 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 177.806 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 9.5 t80 -112.72 142.85 44.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.066 0.46 . . . . 0.0 111.906 -178.599 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -123.32 85.45 2.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.488 179.509 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 13.7 m-20 -46.73 -38.21 9.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.798 -179.374 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.86 -31.99 13.32 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.066 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.9 p -128.39 12.43 6.48 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.843 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 mttt 47.98 35.46 5.08 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.899 0.381 . . . . 0.0 110.655 -179.557 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.742 HG23 ' O ' ' B' ' 4' ' ' LYS . 87.4 m -116.75 141.7 47.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.454 -179.325 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.494 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.0 m-85 -112.48 144.47 41.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.97 179.377 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 3.1 p -122.35 128.8 51.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.145 0.498 . . . . 0.0 111.579 179.486 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.477 HG22 ' CG ' ' A' ' 43' ' ' TRP . 59.0 t -108.07 112.39 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.164 179.388 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.737 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 45.5 m -103.75 118.35 36.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.67 -179.059 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' OE1' ' C ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.482 -179.87 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.4 mtp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.932 0.396 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -105.95 142.82 35.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.954 179.168 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -123.6 147.38 47.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.006 0.431 . . . . 0.0 111.182 -179.748 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.742 ' O ' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -96.63 108.66 21.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.565 179.927 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.622 ' HB ' HG23 ' B' ' 16' ' ' THR . 73.7 t -97.31 116.91 40.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.089 0.471 . . . . 0.0 110.247 179.467 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 53' ' ' THR . 62.7 mt -101.88 126.12 55.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.506 -179.021 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.582 HD21 ' CZ ' ' B' ' 34' ' ' PHE . 48.1 mt -107.46 92.08 3.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.117 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.737 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.5 m120 -100.22 109.28 21.52 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.222 -179.069 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.46 -169.59 15.37 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.689 178.812 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' B' ' 10' ' ' LYS . 0.7 OUTLIER -85.77 -53.43 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.224 0.535 . . . . 0.0 109.901 179.303 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.587 ' HB ' HG11 ' A' ' 29' ' ' VAL . 10.1 p -98.97 -5.48 30.48 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.744 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.954 HD13 ' HB ' ' A' ' 18' ' ' THR . 16.2 tp -135.51 135.72 40.65 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.017 0.437 . . . . 0.0 111.159 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.511 ' H ' HD12 ' B' ' 12' ' ' LEU . 58.5 mttp -144.95 144.54 31.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.112 179.793 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.55 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -179.69 -168.34 38.36 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 119.889 -1.148 . . . . 0.0 113.632 -179.856 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -145.86 142.29 28.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.936 0.398 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.715 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -141.41 169.02 18.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.883 -179.656 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.452 ' O ' HD12 ' A' ' 12' ' ' LEU . 66.6 p -143.39 122.02 12.54 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.632 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.955 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.6 t -108.83 146.1 34.2 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.74 178.421 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -107.34 116.31 31.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 179.745 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.728 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -145.17 149.25 34.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.203 0.525 . . . . 0.0 111.789 -179.526 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.8 t -50.98 -26.71 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.753 -178.923 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.479 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -155.75 178.5 10.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.796 0.331 . . . . 0.0 111.533 179.559 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.07 99.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.346 -179.676 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.46 -54.93 36.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.936 179.532 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.847 ' O ' HG23 ' B' ' 29' ' ' VAL . 52.2 p -50.47 -45.39 56.17 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.351 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.785 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -58.55 -51.58 69.27 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.211 178.108 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.663 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 17.0 tp10 -50.12 -51.22 44.85 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.699 179.131 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -64.31 -49.34 72.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.752 179.43 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.847 HG23 ' O ' ' B' ' 25' ' ' THR . 62.9 t -55.07 -41.66 60.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.05 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.785 HG23 ' O ' ' B' ' 26' ' ' ALA . 66.6 t -66.66 -49.49 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 177.665 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.663 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 4.2 mmmp? -46.84 -49.31 20.31 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.463 178.672 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -61.27 -34.53 75.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.294 -179.175 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.841 ' CG ' HD23 ' A' ' 12' ' ' LEU . 24.3 t80 -51.57 -72.32 0.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.141 179.202 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.582 ' CZ ' HD21 ' B' ' 7' ' ' LEU . 31.1 m-85 -61.52 -37.38 83.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.986 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.611 ' ND2' HG22 ' A' ' 39' ' ' VAL . 28.2 t-20 -51.24 -38.86 54.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.506 0.67 . . . . 0.0 109.733 178.642 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.5 -24.07 17.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.749 -1.114 . . . . 0.0 112.496 -179.773 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' B' ' 38' ' ' GLY . 84.9 m-20 -80.13 -43.29 21.91 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.089 0.471 . . . . 0.0 110.29 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.85 -114.58 0.0 OUTLIER Glycine 0 CA--C 1.52 0.405 0 CA-C-N 114.752 -1.113 . . . . 0.0 115.824 -179.837 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.616 HG22 ' ND2' ' A' ' 35' ' ' ASN . 96.2 t -82.06 -55.46 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 -175.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -89.78 25.32 2.09 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -177.315 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.99 144.5 48.15 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.091 -1.052 . . . . 0.0 112.473 179.531 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -80.78 93.59 6.25 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.742 0.306 . . . . 0.0 110.394 179.475 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.606 ' CH2' HG12 ' A' ' 30' ' ' VAL . 6.0 m0 -106.56 133.95 50.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.009 -178.951 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 44.7 p -113.09 143.82 43.69 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.83 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.492 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 9.4 t80 -112.69 142.87 44.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.07 0.462 . . . . 0.0 112.03 -178.673 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -123.22 85.45 2.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.473 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.418 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 13.6 m-20 -46.64 -38.34 9.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.804 -179.417 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.9 -31.98 13.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 112.044 -178.943 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 67.9 p -128.31 12.43 6.52 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.874 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 28.1 mttt 47.99 35.47 5.1 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.903 0.382 . . . . 0.0 110.625 -179.536 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 4' ' ' LYS . 87.3 m -116.74 141.65 47.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.516 -179.347 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.492 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 2.0 m-85 -112.4 144.53 41.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.965 179.373 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.1 p -122.3 128.95 51.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.029 0.442 . . . . 0.0 111.554 179.449 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.481 HG22 ' CG ' ' B' ' 43' ' ' TRP . 60.4 t -108.22 112.37 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.074 179.445 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.736 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 46.3 m -103.69 118.48 36.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.695 -179.156 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.415 ' C ' ' OE1' ' B' ' 56' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.523 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? . . . . . 0 CA--C 1.527 0.078 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -125.42 142.05 51.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.818 0.342 . . . . 0.0 110.785 -179.736 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.853 ' O ' HG23 ' B' ' 51' ' ' THR . 4.8 ttmp? -105.54 112.73 25.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.956 -179.744 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.697 HG21 HG21 ' A' ' 30' ' ' VAL . 69.7 t -95.28 133.26 36.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.117 0.484 . . . . 0.0 110.473 179.56 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.559 ' HB ' HG22 ' B' ' 53' ' ' THR . 70.0 mt -107.98 124.48 64.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.158 -179.299 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.494 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 15.9 mt -105.67 84.8 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.122 0.487 . . . . 0.0 110.218 -179.814 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.769 ' O ' ' HA ' ' B' ' 55' ' ' THR . 73.0 m-20 -93.81 108.82 20.54 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.359 -179.158 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.55 -167.47 14.7 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.043 178.905 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.63 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.1 mmpt? -82.3 -54.97 4.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.081 0.467 . . . . 0.0 110.127 179.52 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.462 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 14.5 p -102.64 -0.97 31.04 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.304 -179.74 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.931 HD13 ' HB ' ' B' ' 18' ' ' THR . 24.6 tp -137.0 136.61 38.62 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.102 0.477 . . . . 0.0 111.478 -179.499 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.467 ' H ' HD12 ' A' ' 12' ' ' LEU . 96.0 mttt -145.25 145.27 31.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.157 179.496 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.511 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.34 -176.69 43.82 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 119.896 -1.145 . . . . 0.0 113.499 -179.695 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -136.56 135.05 38.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.31 . . . . 0.0 110.283 179.52 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.795 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -135.34 167.0 21.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.053 -179.713 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.495 ' O ' HD12 ' B' ' 12' ' ' LEU . 69.4 p -143.72 122.8 12.87 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.807 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.949 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.2 t -111.55 145.9 38.28 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.498 178.562 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -107.91 117.11 33.26 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 179.796 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.634 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -146.75 152.39 38.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.199 0.523 . . . . 0.0 111.835 -179.412 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.7 t -50.61 -25.29 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.946 -178.787 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.645 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -157.15 174.91 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 111.318 179.307 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.551 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -60.2 -41.87 93.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.521 -179.454 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.6 -54.11 41.08 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.35 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.846 ' O ' HG23 ' A' ' 29' ' ' VAL . 58.6 p -50.13 -45.55 53.07 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.378 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.847 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.44 -49.99 75.38 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.704 178.317 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.485 ' OE2' ' HG3' ' A' ' 31' ' ' LYS . 4.2 tm-20 -55.63 -45.18 77.63 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.627 179.746 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HD2' ' OE1' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -68.07 -47.7 67.59 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.446 179.129 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 25' ' ' THR . 88.9 t -55.35 -41.79 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.565 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 26' ' ' ALA . 99.5 t -63.47 -45.42 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.07 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.485 ' HG3' ' OE2' ' A' ' 27' ' ' GLU . 79.9 mttt -48.64 -47.24 40.51 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-O 121.129 0.49 . . . . 0.0 110.37 178.986 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.449 ' NE2' ' OD2' ' A' ' 36' ' ' ASP . 36.0 tp60 -59.3 -36.36 75.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.862 179.28 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.872 ' CG ' HD23 ' B' ' 12' ' ' LEU . 36.2 t80 -51.75 -69.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.999 179.183 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.417 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 32.2 m-85 -64.19 -37.62 88.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.957 179.76 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.708 ' ND2' HG22 ' B' ' 39' ' ' VAL . 25.0 t-20 -51.41 -38.88 55.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.497 0.665 . . . . 0.0 110.092 178.828 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.449 ' OD2' ' NE2' ' A' ' 32' ' ' GLN . 28.0 m-20 -94.64 -23.58 17.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.397 -179.85 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 38' ' ' GLY . 24.0 m120 -79.43 -45.29 19.75 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.243 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.36 -117.21 0.0 OUTLIER Glycine 0 CA--C 1.519 0.327 0 CA-C-N 114.48 -1.236 . . . . 0.0 116.071 179.645 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.714 HG22 ' ND2' ' B' ' 35' ' ' ASN . 48.2 t -81.88 -55.55 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -175.88 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -90.98 27.13 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -177.12 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.73 150.84 52.17 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.05 -1.071 . . . . 0.0 112.2 179.331 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -81.22 94.49 6.7 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.343 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.549 ' CH2' HG12 ' B' ' 30' ' ' VAL . 8.4 m0 -101.22 122.36 43.5 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -178.367 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -106.9 138.95 42.1 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.641 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 12.4 t80 -111.73 140.93 45.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.011 0.434 . . . . 0.0 111.927 -178.665 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.464 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.7 t0 -123.5 81.93 1.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.196 178.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.98 -36.15 16.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.51 -179.526 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.464 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -51.26 -32.0 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.667 -179.632 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.1 p -122.04 11.95 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.575 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp 48.66 36.43 7.72 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.634 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.86 HG23 ' O ' ' B' ' 4' ' ' LYS . 99.1 m -129.48 140.67 51.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.016 0.436 . . . . 0.0 111.353 -179.017 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.552 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 2.1 m-85 -108.75 146.52 33.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.422 178.937 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.554 HG22 ' HB ' ' B' ' 6' ' ' ILE . 2.9 p -122.71 127.56 49.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.34 0.59 . . . . 0.0 112.227 179.781 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.5 t -107.38 115.73 49.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.232 -0.895 . . . . 0.0 108.975 178.356 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.764 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 4.9 m -111.79 123.17 49.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.09 0.471 . . . . 0.0 112.119 -178.457 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.046 179.731 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.468 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 28.0 ttt . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.935 0.398 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.468 ' N ' ' HG2' ' B' ' 1' ' ' MET . 1.2 tm0? -95.79 128.9 43.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.089 179.342 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' B' ' 1' ' ' MET . 72.9 m-85 -125.39 142.08 51.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.804 0.335 . . . . 0.0 110.735 -179.728 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.86 ' O ' HG23 ' A' ' 51' ' ' THR . 4.8 ttmp? -105.59 112.78 25.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.055 -179.874 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.69 HG21 HG21 ' B' ' 30' ' ' VAL . 69.1 t -95.28 133.22 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.513 179.613 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.554 ' HB ' HG22 ' A' ' 53' ' ' THR . 69.1 mt -107.99 124.53 64.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.146 -179.281 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 15.9 mt -105.61 84.76 2.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.05 0.452 . . . . 0.0 110.3 -179.836 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.764 ' O ' ' HA ' ' A' ' 55' ' ' THR . 73.1 m-20 -93.85 108.92 20.64 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.319 -179.036 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.56 -167.42 14.68 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.126 178.927 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.631 ' HE2' ' HA ' ' B' ' 10' ' ' LYS . 7.1 mmpt? -82.43 -55.01 4.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.086 0.469 . . . . 0.0 110.097 179.503 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.464 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 14.6 p -102.58 -1.02 31.14 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.305 -179.81 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.949 HD13 ' HB ' ' A' ' 18' ' ' THR . 24.6 tp -136.98 136.65 38.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.057 0.456 . . . . 0.0 111.531 -179.561 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.472 ' H ' HD12 ' B' ' 12' ' ' LEU . 96.0 mttt -145.27 145.24 31.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.079 179.563 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.31 -176.71 43.81 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 119.979 -1.105 . . . . 0.0 113.558 -179.733 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -136.63 135.09 38.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.91 0.386 . . . . 0.0 110.212 179.53 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.79 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -135.39 166.99 21.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.033 -179.727 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.486 ' O ' HD12 ' A' ' 12' ' ' LEU . 70.2 p -143.64 122.76 12.9 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -178.768 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.931 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.1 t -111.51 145.99 38.07 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.449 178.604 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -107.89 117.0 32.97 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 179.724 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.634 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -146.71 152.52 38.96 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.146 0.498 . . . . 0.0 111.912 -179.495 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 27.1 t -50.56 -25.37 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.923 -178.784 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.643 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -157.13 174.87 14.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.891 0.377 . . . . 0.0 111.326 179.388 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.552 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -60.18 -41.82 93.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.487 -179.51 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.74 -54.2 39.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.497 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.847 ' O ' HG23 ' B' ' 29' ' ' VAL . 59.3 p -50.09 -45.58 52.71 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.413 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.857 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.35 -50.09 75.01 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.754 178.291 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.484 ' OE2' ' HG3' ' B' ' 31' ' ' LYS . 4.2 tm-20 -55.65 -45.09 77.71 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.747 179.704 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.452 ' HD2' ' OE1' ' B' ' 27' ' ' GLU . 0.3 OUTLIER -68.03 -47.82 67.37 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.363 179.044 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.847 HG23 ' O ' ' B' ' 25' ' ' THR . 88.9 t -55.4 -41.82 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.676 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.857 HG23 ' O ' ' B' ' 26' ' ' ALA . 100.0 t -63.4 -45.4 98.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.064 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.484 ' HG3' ' OE2' ' B' ' 27' ' ' GLU . 79.9 mttt -48.57 -47.22 39.7 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 121.106 0.479 . . . . 0.0 110.362 178.955 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.454 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 35.9 tp60 -59.31 -36.38 75.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.835 179.328 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.871 ' CG ' HD23 ' A' ' 12' ' ' LEU . 36.3 t80 -51.81 -69.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.972 179.275 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.417 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 32.2 m-85 -64.2 -37.66 88.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.997 179.71 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.714 ' ND2' HG22 ' A' ' 39' ' ' VAL . 25.1 t-20 -51.29 -38.95 55.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.471 0.653 . . . . 0.0 110.124 178.764 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.454 ' OD2' ' NE2' ' B' ' 32' ' ' GLN . 28.0 m-20 -94.67 -23.5 17.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.352 -179.776 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' B' ' 38' ' ' GLY . 24.1 m120 -79.54 -45.12 19.87 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.229 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.53 -117.25 0.0 OUTLIER Glycine 0 CA--C 1.52 0.386 0 CA-C-N 114.419 -1.264 . . . . 0.0 116.014 179.719 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.708 HG22 ' ND2' ' A' ' 35' ' ' ASN . 48.4 t -81.86 -55.61 7.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 -175.736 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -90.91 27.19 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.208 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.78 150.92 52.23 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.068 -1.063 . . . . 0.0 112.16 179.386 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.492 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 0.4 OUTLIER -81.46 94.53 6.85 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.458 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.553 ' CH2' HG12 ' A' ' 30' ' ' VAL . 8.4 m0 -101.16 122.38 43.52 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.407 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 67.3 p -106.95 138.98 42.1 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.711 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.495 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 12.2 t80 -111.79 141.08 45.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.994 0.426 . . . . 0.0 111.944 -178.654 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.454 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.8 t0 -123.55 81.86 1.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.187 179.095 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.02 -36.15 17.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.428 -179.486 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.454 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -51.28 -31.96 23.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.655 -179.568 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 81.1 p -122.11 12.04 10.29 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.616 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp 48.54 36.39 7.41 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.927 0.394 . . . . 0.0 110.789 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.853 HG23 ' O ' ' A' ' 4' ' ' LYS . 99.0 m -129.43 140.67 51.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.45 -179.045 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.551 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 2.2 m-85 -108.76 146.49 33.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.347 179.058 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.559 HG22 ' HB ' ' A' ' 6' ' ' ILE . 2.9 p -122.67 127.56 49.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.355 0.598 . . . . 0.0 112.231 179.741 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.5 t -107.31 115.62 49.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.0 178.376 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.769 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 5.0 m -111.76 123.32 49.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.132 0.491 . . . . 0.0 112.088 -178.478 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.946 179.823 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 17' ' ' THR . 73.7 m-85 -127.26 145.57 50.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.814 0.34 . . . . 0.0 111.188 -179.426 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.541 ' O ' HG23 ' B' ' 51' ' ' THR . 24.5 ttmm -109.41 107.95 18.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.26 179.639 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.602 ' HB ' HG23 ' A' ' 16' ' ' THR . 62.1 t -94.24 133.87 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.028 0.442 . . . . 0.0 110.897 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.764 HG22 ' OD1' ' A' ' 8' ' ' ASN . 61.3 mt -106.16 129.16 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.055 179.743 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.416 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.0 mt -105.9 93.42 4.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.874 -178.632 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.764 ' OD1' HG22 ' A' ' 6' ' ' ILE . 6.4 m120 -98.71 105.54 17.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.49 -179.627 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.05 -170.01 19.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.464 179.841 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG2' ' CD ' ' B' ' 56' ' ' GLU . 72.7 mmtt -68.89 -53.03 23.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.878 0.37 . . . . 0.0 111.457 -179.735 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.495 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 17.9 p -121.3 17.57 11.47 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -178.933 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.996 HD13 ' HB ' ' B' ' 18' ' ' THR . 27.0 tp -141.04 140.27 34.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.006 0.432 . . . . 0.0 110.879 -179.163 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.509 ' H ' HD12 ' A' ' 12' ' ' LEU . 6.9 mptt -145.11 147.71 32.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.315 179.708 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.33 -174.3 41.82 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 119.928 -1.129 . . . . 0.0 113.366 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -141.88 133.68 27.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.023 0.44 . . . . 0.0 110.32 179.636 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.752 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -133.92 168.05 19.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.134 -179.604 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 4' ' ' LYS . 46.1 p -143.44 119.56 10.75 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.792 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.995 ' HB ' HD13 ' B' ' 12' ' ' LEU . 15.0 t -109.04 144.47 37.01 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.693 178.754 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -104.95 116.36 31.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.549 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -148.13 151.67 36.0 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.291 0.567 . . . . 0.0 111.979 -179.579 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.5 t -50.84 -26.1 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.991 -178.795 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.585 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -157.42 175.08 14.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.0 111.347 179.448 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.94 -42.55 94.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.424 -179.589 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.79 -54.47 38.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.006 179.49 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.908 ' O ' HG23 ' A' ' 29' ' ' VAL . 48.9 p -51.42 -45.96 62.77 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.411 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.9 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.54 -52.43 65.58 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.482 ' HG3' ' HE3' ' A' ' 31' ' ' LYS . 37.3 tp10 -51.55 -47.67 63.35 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.503 178.901 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -64.16 -46.1 85.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.469 179.46 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 25' ' ' THR . 74.1 t -58.4 -41.13 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.21 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 26' ' ' ALA . 21.3 t -61.43 -44.58 98.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.625 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.493 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 22.7 mmtp -46.66 -50.24 18.01 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.247 0.546 . . . . 0.0 109.917 179.212 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.461 ' NE2' ' OE1' ' A' ' 56' ' ' GLU . 5.6 tm0? -58.91 -35.72 73.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.683 179.047 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.982 ' CG ' HD23 ' B' ' 12' ' ' LEU . 54.3 t80 -55.07 -62.46 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.376 179.546 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.411 ' HB3' ' HA2' ' B' ' 38' ' ' GLY . 27.5 m-85 -70.04 -39.01 76.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.682 179.31 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.465 ' ND2' HG21 ' B' ' 39' ' ' VAL . 31.0 t-20 -50.43 -38.7 44.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.605 0.717 . . . . 0.0 109.927 178.597 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.39 -22.89 18.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.86 -1.064 . . . . 0.0 112.507 -179.744 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.476 ' O ' ' C ' ' A' ' 38' ' ' GLY . 21.3 m120 -81.92 -46.83 13.52 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.145 179.424 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.51 -115.1 0.0 OUTLIER Glycine 0 C--N 1.333 0.395 0 N-CA-C 115.494 0.958 . . . . 0.0 115.494 179.723 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 39' ' ' VAL . 22.0 t -110.37 5.24 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -176.361 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.99 12.5 8.38 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.697 -0.627 . . . . 0.0 112.04 -179.891 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.75 174.86 53.17 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.122 -179.593 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 46.6 mp0 -100.0 102.74 14.19 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.491 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.536 ' HH2' HG12 ' B' ' 30' ' ' VAL . 7.8 m0 -96.63 118.39 33.01 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.415 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.4 p -102.61 133.38 47.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.074 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.525 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 9.2 t80 -104.96 139.74 39.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.361 . . . . 0.0 111.706 -178.552 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -123.22 81.31 1.87 Allowed 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.649 179.525 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.64 -36.79 25.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.465 -179.605 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.13 -31.73 14.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.168 -179.268 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.9 p -128.23 12.7 6.6 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.627 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.481 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER 54.38 31.92 15.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.9 0.381 . . . . 0.0 110.335 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.545 HG23 ' O ' ' B' ' 4' ' ' LYS . 51.7 m -111.45 154.04 25.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.223 -178.758 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.596 ' O ' HG13 ' B' ' 5' ' ' VAL . 3.4 m-85 -129.2 95.03 3.94 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 121.225 0.535 . . . . 0.0 112.106 179.636 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.4 p -72.74 127.9 33.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.873 178.948 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.0 t -117.7 119.2 60.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.834 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.639 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 28.6 m -102.67 113.8 27.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.063 179.565 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.461 ' OE1' ' NE2' ' A' ' 32' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.221 -178.658 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.439 ' HB3' ' CE1' ' B' ' 3' ' ' TYR . 12.0 ttm . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.777 0.322 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -97.0 135.64 38.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.431 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.439 ' CE1' ' HB3' ' B' ' 1' ' ' MET . 74.1 m-85 -127.25 145.44 50.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.799 0.333 . . . . 0.0 111.214 -179.381 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.545 ' O ' HG23 ' A' ' 51' ' ' THR . 24.5 ttmm -109.39 107.95 18.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.302 179.58 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.598 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.6 t -94.22 133.87 33.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.092 0.472 . . . . 0.0 110.79 -179.64 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.762 HG22 ' OD1' ' B' ' 8' ' ' ASN . 61.3 mt -106.23 129.24 59.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.089 179.628 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.1 mt -106.0 93.5 4.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.884 -178.589 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.762 ' OD1' HG22 ' B' ' 6' ' ' ILE . 6.4 m120 -98.72 105.49 17.64 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.423 -179.53 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.99 -170.0 19.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.424 179.786 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.408 ' HG2' ' CD ' ' A' ' 56' ' ' GLU . 72.7 mmtt -68.93 -52.98 23.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.822 0.344 . . . . 0.0 111.415 -179.653 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.493 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 18.0 p -121.34 17.61 11.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.077 -178.9 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.995 HD13 ' HB ' ' A' ' 18' ' ' THR . 27.0 tp -141.13 140.23 34.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.953 0.406 . . . . 0.0 110.869 -179.171 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.507 ' H ' HD12 ' B' ' 12' ' ' LEU . 6.9 mptt -145.11 147.57 32.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.283 179.788 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.494 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.24 -174.29 41.73 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.044 -1.074 . . . . 0.0 113.447 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -141.7 133.74 27.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.912 0.387 . . . . 0.0 110.371 179.672 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.738 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -134.05 168.03 19.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.095 -179.564 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.537 HG22 ' HA ' ' B' ' 4' ' ' LYS . 46.2 p -143.53 119.59 10.72 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.849 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.996 ' HB ' HD13 ' A' ' 12' ' ' LEU . 15.0 t -108.84 144.52 36.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.761 178.595 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -104.91 116.27 31.69 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 179.829 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.549 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -148.11 151.62 35.92 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.279 0.562 . . . . 0.0 111.976 -179.537 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 t -50.77 -26.18 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.07 -178.835 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.584 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -157.35 175.05 14.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 111.321 179.485 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.53 94.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.421 -179.587 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.7 -54.64 36.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.981 179.467 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.904 ' O ' HG23 ' B' ' 29' ' ' VAL . 51.5 p -51.25 -46.06 62.23 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.378 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.89 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.49 -52.49 65.37 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.033 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.482 ' HG3' ' HE3' ' B' ' 31' ' ' LYS . 37.1 tp10 -51.49 -47.77 63.12 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.422 178.871 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.4 ' HA ' ' HG2' ' B' ' 31' ' ' LYS . 45.3 mmtm -64.12 -46.12 85.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.522 179.555 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.904 HG23 ' O ' ' B' ' 25' ' ' THR . 72.6 t -58.3 -41.24 80.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.251 179.432 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.89 HG23 ' O ' ' B' ' 26' ' ' ALA . 21.4 t -61.45 -44.47 98.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.657 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.493 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 22.8 mmtp -46.71 -50.19 18.31 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 121.262 0.553 . . . . 0.0 109.945 179.177 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.462 ' NE2' ' OE1' ' B' ' 56' ' ' GLU . 5.6 tm0? -58.96 -35.63 73.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.708 178.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.984 ' CG ' HD23 ' A' ' 12' ' ' LEU . 54.5 t80 -55.05 -62.53 1.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.346 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.413 ' HB3' ' HA2' ' A' ' 38' ' ' GLY . 27.5 m-85 -70.11 -38.91 75.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.693 179.382 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.471 ' ND2' HG21 ' A' ' 39' ' ' VAL . 31.2 t-20 -50.37 -38.82 44.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.481 0.658 . . . . 0.0 109.947 178.509 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.31 -22.74 18.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.544 -179.76 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.476 ' O ' ' C ' ' B' ' 38' ' ' GLY . 21.1 m120 -82.04 -46.87 13.33 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.045 179.451 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.5 -115.03 0.0 OUTLIER Glycine 0 C--N 1.334 0.417 0 N-CA-C 115.476 0.95 . . . . 0.0 115.476 179.798 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.645 HG12 ' O ' ' B' ' 39' ' ' VAL . 22.2 t -110.49 5.18 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -176.154 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.04 12.51 8.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 118.495 0.589 . . . . 0.0 112.032 -179.803 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.82 174.96 53.15 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.073 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.453 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 46.2 mp0 -100.17 102.68 14.05 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.484 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.541 ' HH2' HG12 ' A' ' 30' ' ' VAL . 7.7 m0 -96.39 118.34 32.71 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.409 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 45.4 p -102.57 133.41 47.6 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.033 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.521 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 9.3 t80 -104.96 139.6 39.42 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.628 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.14 81.36 1.87 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.935 0.398 . . . . 0.0 110.656 179.543 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.74 -36.6 26.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.544 -179.618 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.16 -31.79 14.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.131 -179.305 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -128.25 12.67 6.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.472 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.479 ' HA ' ' HE3' ' B' ' 50' ' ' LYS . 0.0 OUTLIER 54.41 31.79 15.28 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.831 0.348 . . . . 0.0 110.333 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 4' ' ' LYS . 51.5 m -111.39 154.1 25.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.215 -178.696 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.591 ' O ' HG13 ' A' ' 5' ' ' VAL . 3.4 m-85 -129.26 94.98 3.92 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.252 0.548 . . . . 0.0 112.116 179.636 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.4 p -72.77 127.91 33.94 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.802 178.959 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -117.64 119.12 60.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.636 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 28.5 m -102.62 113.8 27.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.161 179.493 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.462 ' OE1' ' NE2' ' B' ' 32' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.208 -178.644 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.465 ' NE2' ' HB ' ' A' ' 17' ' ' THR . 32.8 tp60 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.66 0.267 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -123.9 148.41 46.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.577 179.584 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.563 ' O ' HG23 ' B' ' 51' ' ' THR . 62.8 tttm -106.28 104.72 14.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.905 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.708 HG21 HG21 ' A' ' 30' ' ' VAL . 93.2 t -94.69 129.35 45.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.642 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.764 HG22 ' OD1' ' A' ' 8' ' ' ASN . 67.7 mt -110.33 131.66 60.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.575 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.518 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 17.1 mt -108.03 92.76 4.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.317 -179.49 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.764 ' OD1' HG22 ' A' ' 6' ' ' ILE . 5.9 m120 -96.44 107.12 19.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.055 -178.789 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.47 -175.08 20.03 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.294 179.232 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -78.65 -54.33 6.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.263 0.554 . . . . 0.0 109.723 179.204 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.473 ' HB ' HG11 ' B' ' 29' ' ' VAL . 3.0 p -103.01 1.03 32.98 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.223 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.955 HD13 ' HB ' ' B' ' 18' ' ' THR . 28.4 tp -136.74 139.73 42.09 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.058 0.456 . . . . 0.0 111.41 -179.54 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.506 ' H ' HD12 ' A' ' 12' ' ' LEU . 49.5 mtmt -145.19 141.9 29.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.411 179.892 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.471 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.54 -173.65 41.45 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.119 -1.039 . . . . 0.0 113.564 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.439 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 52.0 mp0 -139.69 150.83 45.34 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.527 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.791 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -151.25 166.8 29.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.182 -179.342 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 4' ' ' LYS . 68.0 p -143.51 121.36 11.98 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -179.019 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.971 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.6 t -109.59 145.34 36.56 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.719 178.704 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -106.38 118.15 35.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.73 0.3 . . . . 0.0 110.675 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.523 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -149.4 151.8 34.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.116 0.484 . . . . 0.0 111.992 -179.633 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.2 t -50.98 -26.4 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.785 -179.074 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.464 ' OD1' HG23 ' A' ' 25' ' ' THR . 5.8 p-10 -155.11 174.02 15.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.864 0.364 . . . . 0.0 111.475 179.468 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.483 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -59.43 -42.63 92.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.05 -179.704 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.29 -55.81 24.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.547 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.877 ' O ' HG23 ' A' ' 29' ' ' VAL . 29.6 p -51.23 -44.37 61.66 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.26 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.751 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.79 -52.7 63.96 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.179 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -52.65 -47.26 67.22 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.58 179.116 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.58 -44.43 96.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.044 179.495 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 25' ' ' THR . 91.5 t -60.48 -39.05 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.172 179.194 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 26' ' ' ALA . 47.0 t -67.15 -49.54 71.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 178.414 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -47.4 -46.21 25.91 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 121.254 0.549 . . . . 0.0 109.828 178.494 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -61.14 -35.41 77.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.436 179.63 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.861 ' CG ' HD23 ' B' ' 12' ' ' LEU . 46.7 t80 -55.35 -61.73 2.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.197 179.059 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -68.94 -40.89 78.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.659 179.47 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.529 ' ND2' HG22 ' B' ' 39' ' ' VAL . 27.6 t-20 -50.19 -37.29 34.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.623 0.725 . . . . 0.0 109.667 178.467 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -94.5 -23.82 17.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.641 -1.163 . . . . 0.0 112.452 -179.779 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 38' ' ' GLY . 21.8 m120 -81.44 -46.6 14.34 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.043 0.449 . . . . 0.0 110.006 179.379 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.2 -114.44 0.0 OUTLIER Glycine 0 CA--C 1.52 0.373 0 N-CA-C 115.962 1.145 . . . . 0.0 115.962 -179.905 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.527 HG22 ' ND2' ' B' ' 35' ' ' ASN . 90.4 t -82.88 -55.27 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -175.891 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -90.7 26.87 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -176.941 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.46 162.87 54.28 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 119.916 -1.135 . . . . 0.0 111.879 179.124 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -91.56 96.63 10.58 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 117.012 0.406 . . . . 0.0 110.348 179.791 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.586 ' CH2' HG12 ' B' ' 30' ' ' VAL . 7.6 m95 -97.12 118.12 32.82 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.381 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.3 p -107.18 136.96 46.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.025 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.466 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 7.6 t80 -109.28 141.78 41.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 0.0 111.428 -179.217 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.48 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 65.2 t0 -123.23 83.44 2.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 53.7 m-20 -46.78 -37.04 8.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.424 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.48 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.97 -35.56 24.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.03 -179.262 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.4 p -128.05 12.63 6.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.673 -179.777 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' NZ ' ' CB ' ' A' ' 50' ' ' LYS . 3.0 mtmp? 47.93 39.18 10.47 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.183 0.516 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.597 HG21 ' CD1' ' B' ' 6' ' ' ILE . 97.7 m -113.35 148.01 36.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.999 -179.254 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.485 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 17.9 m-85 -117.0 96.22 5.35 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.51 0.671 . . . . 0.0 111.906 -179.828 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -77.36 121.42 23.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.214 179.27 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.4 t -109.5 109.2 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.374 179.53 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.662 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 34.0 m -101.06 118.69 37.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.597 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.265 -179.068 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.866 0.365 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.463 ' NE2' ' HB ' ' B' ' 17' ' ' THR . 32.8 tp60 -104.09 129.21 51.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.044 -179.67 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -123.8 148.39 46.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.644 179.637 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.561 ' O ' HG23 ' A' ' 51' ' ' THR . 62.9 tttm -106.28 104.7 14.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.895 -179.77 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.708 HG21 HG21 ' B' ' 30' ' ' VAL . 92.3 t -94.74 129.35 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.986 0.422 . . . . 0.0 110.603 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.761 HG22 ' OD1' ' B' ' 8' ' ' ASN . 67.1 mt -110.28 131.6 60.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.587 179.887 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 17.1 mt -108.0 92.68 4.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.319 -179.516 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.761 ' OD1' HG22 ' B' ' 6' ' ' ILE . 6.0 m120 -96.37 107.14 19.47 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -178.847 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.45 -175.07 20.04 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.174 179.316 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -78.69 -54.32 6.22 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.277 0.561 . . . . 0.0 109.73 179.15 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.475 ' HB ' HG11 ' A' ' 29' ' ' VAL . 2.9 p -103.12 1.06 32.75 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.13 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.971 HD13 ' HB ' ' A' ' 18' ' ' THR . 28.3 tp -136.71 139.66 42.09 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.062 0.458 . . . . 0.0 111.424 -179.534 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.501 ' H ' HD12 ' B' ' 12' ' ' LEU . 49.6 mtmt -145.14 142.09 29.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.381 179.837 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.472 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.69 -173.72 41.64 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.075 -1.059 . . . . 0.0 113.567 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 51.7 mp0 -139.62 150.9 45.53 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.53 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.788 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -151.32 166.74 30.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.168 -179.247 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.524 HG22 ' HA ' ' B' ' 4' ' ' LYS . 68.5 p -143.52 121.39 11.99 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.947 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.955 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.7 t -109.62 145.22 36.8 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.68 178.767 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -106.23 118.11 35.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.653 0.263 . . . . 0.0 110.766 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.52 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -149.47 151.87 34.68 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 121.146 0.498 . . . . 0.0 111.871 -179.642 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.0 t -50.9 -26.49 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.84 -179.109 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.463 ' OD1' HG23 ' B' ' 25' ' ' THR . 5.8 p-10 -155.02 174.1 15.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.88 0.372 . . . . 0.0 111.512 179.455 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.485 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -59.58 -42.43 92.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.725 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.3 -55.88 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.953 179.412 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.873 ' O ' HG23 ' B' ' 29' ' ' VAL . 29.9 p -51.21 -44.31 61.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.268 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.752 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.85 -52.47 64.9 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.29 178.111 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -52.91 -47.11 68.21 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.564 179.049 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.64 -44.38 96.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.045 179.427 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.873 HG23 ' O ' ' B' ' 25' ' ' THR . 92.7 t -60.62 -38.97 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.173 179.255 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.752 HG23 ' O ' ' B' ' 26' ' ' ALA . 47.2 t -67.23 -49.45 72.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.389 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -47.4 -46.21 25.96 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.362 0.601 . . . . 0.0 109.873 178.496 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' B' ' 32' ' ' GLN . 3.1 tp-100 -61.11 -35.35 76.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.456 179.625 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.862 ' CG ' HD23 ' A' ' 12' ' ' LEU . 47.2 t80 -55.52 -61.72 2.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.134 179.124 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -69.02 -40.77 78.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.604 179.492 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.527 ' ND2' HG22 ' A' ' 39' ' ' VAL . 27.7 t-20 -50.24 -37.27 34.78 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.682 0.753 . . . . 0.0 109.659 178.459 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -94.5 -23.85 17.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.7 -1.136 . . . . 0.0 112.498 -179.793 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' B' ' 38' ' ' GLY . 21.7 m120 -81.43 -46.4 14.64 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.034 0.445 . . . . 0.0 110.101 179.32 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.45 -114.43 0.0 OUTLIER Glycine 0 CA--C 1.52 0.362 0 N-CA-C 115.978 1.151 . . . . 0.0 115.978 -179.899 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.529 HG22 ' ND2' ' A' ' 35' ' ' ASN . 91.1 t -82.86 -55.19 7.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -175.938 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -90.58 26.85 1.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 -177.14 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.45 162.75 54.27 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 119.953 -1.118 . . . . 0.0 111.902 179.135 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -91.42 96.58 10.59 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 117.028 0.414 . . . . 0.0 110.378 179.756 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.58 ' CH2' HG12 ' A' ' 30' ' ' VAL . 7.5 m95 -96.97 117.99 32.37 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.47 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.2 p -107.18 137.06 45.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.091 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.465 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 7.7 t80 -109.4 141.67 41.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.846 0.355 . . . . 0.0 111.37 -179.143 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.483 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 65.4 t0 -123.16 83.5 2.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.004 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 53.9 m-20 -46.82 -36.96 7.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.373 -179.901 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.483 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.13 -35.5 26.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.005 -179.264 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 74.2 p -127.96 12.56 6.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.668 -179.793 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.403 ' CB ' ' NZ ' ' B' ' 50' ' ' LYS . 2.9 mtmp? 47.91 39.15 10.36 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.192 0.52 . . . . 0.0 110.903 -179.894 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.587 HG21 ' CD1' ' A' ' 6' ' ' ILE . 97.6 m -113.25 147.95 36.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.08 -179.245 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.483 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 18.1 m-85 -116.9 96.22 5.37 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.369 0.604 . . . . 0.0 111.911 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -77.35 121.47 23.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.203 179.27 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 64.6 t -109.56 109.23 27.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.32 179.539 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.667 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 34.2 m -100.98 118.62 37.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.934 -179.644 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.358 -179.14 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 N--CA 1.461 0.098 0 CA-C-O 121.005 0.431 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.466 ' CD2' ' HE2' ' B' ' 50' ' ' LYS . 10.1 m-85 -132.5 151.64 51.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.289 179.542 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.783 ' O ' HG23 ' B' ' 51' ' ' THR . 87.8 tttt -109.59 109.84 20.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 111.411 -179.559 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.766 HG21 HG21 ' A' ' 30' ' ' VAL . 72.6 t -94.86 136.0 27.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.103 179.399 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.781 HG22 ' OD1' ' A' ' 8' ' ' ASN . 78.1 mt -114.84 135.35 54.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.049 -179.197 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.496 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 13.9 mt -113.2 104.99 12.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.698 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.781 ' OD1' HG22 ' A' ' 6' ' ' ILE . 6.2 m120 -109.11 107.83 18.28 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.496 -179.574 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.52 -166.19 15.42 Favored Glycine 0 CA--C 1.51 -0.237 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.279 179.343 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -75.71 -55.37 5.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.915 0.388 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.463 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 15.3 p -110.17 8.8 23.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.648 -179.083 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.968 HD13 ' HB ' ' B' ' 18' ' ' THR . 26.7 tp -140.12 138.32 35.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.029 0.442 . . . . 0.0 111.654 -179.402 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.478 ' H ' HD12 ' A' ' 12' ' ' LEU . 52.0 mtmt -145.77 148.1 32.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.105 179.051 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -176.2 -173.29 41.72 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 119.84 -1.172 . . . . 0.0 113.835 -179.938 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.438 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 51.3 mp0 -140.09 137.62 34.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.824 0.345 . . . . 0.0 110.293 179.827 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.745 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -138.88 168.88 18.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.429 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.531 HG22 ' HA ' ' A' ' 4' ' ' LYS . 48.8 p -143.4 120.11 11.16 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -178.76 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.982 ' HB ' HD13 ' B' ' 12' ' ' LEU . 15.1 t -108.14 142.72 37.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.591 178.549 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -104.87 115.85 31.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.534 0.207 . . . . 0.0 110.64 179.803 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.53 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.04 154.91 39.98 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 121.255 0.55 . . . . 0.0 112.057 -179.632 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.0 t -50.53 -24.33 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.166 -178.581 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.45 ' OD2' ' HB3' ' A' ' 24' ' ' ALA . 6.0 p-10 -158.16 170.62 21.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.83 0.347 . . . . 0.0 111.506 179.563 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -59.27 -40.95 87.69 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.517 179.844 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.45 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -64.69 -55.54 19.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.863 179.26 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.868 ' O ' HG23 ' A' ' 29' ' ' VAL . 10.9 p -53.57 -42.1 67.2 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.294 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.921 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -62.13 -49.15 77.04 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.488 178.097 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.473 ' HG2' ' HE3' ' A' ' 31' ' ' LYS . 39.1 tt0 -57.57 -44.86 85.64 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 179.342 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -64.45 -43.57 93.84 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.344 179.493 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 25' ' ' THR . 96.5 t -60.35 -40.53 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.041 179.167 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.921 HG23 ' O ' ' A' ' 26' ' ' ALA . 43.7 t -60.62 -43.35 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 178.514 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.568 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 28.2 mmtp -47.25 -51.63 18.31 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.271 0.558 . . . . 0.0 109.801 179.059 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.454 ' NE2' ' OD2' ' A' ' 36' ' ' ASP . 34.6 tp60 -56.58 -36.8 69.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.033 179.629 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.914 ' CG ' HD23 ' B' ' 12' ' ' LEU . 43.8 t80 -52.68 -66.75 0.33 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.952 179.301 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.45 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 31.2 m-85 -66.87 -38.66 86.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.896 179.412 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.521 ' ND2' HG22 ' B' ' 39' ' ' VAL . 28.1 t-20 -52.78 -37.83 60.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.542 0.687 . . . . 0.0 109.654 178.297 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.454 ' OD2' ' NE2' ' A' ' 32' ' ' GLN . 42.3 m-20 -94.21 -26.43 16.66 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.757 -1.111 . . . . 0.0 112.718 -179.552 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 38' ' ' GLY . 24.1 m120 -78.64 -41.8 30.46 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.149 0.499 . . . . 0.0 110.144 179.477 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.81 -115.46 0.0 OUTLIER Glycine 0 CA--C 1.521 0.418 0 CA-C-N 114.556 -1.202 . . . . 0.0 115.758 179.712 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.523 HG22 ' ND2' ' B' ' 35' ' ' ASN . 86.3 t -84.71 -55.42 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -175.855 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -89.66 26.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -176.515 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.51 161.75 52.4 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 119.658 -1.258 . . . . 0.0 111.705 178.886 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -88.06 95.92 10.32 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 117.186 0.493 . . . . 0.0 110.38 179.717 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.639 ' HH2' HG12 ' B' ' 30' ' ' VAL . 6.9 m0 -99.04 118.85 36.74 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.368 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.5 p -110.94 138.57 47.18 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 177.627 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 8.4 t80 -110.23 144.33 39.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.013 0.435 . . . . 0.0 111.61 -178.672 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.645 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.3 t70 -123.31 81.9 1.94 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.533 179.504 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 52.1 m-20 -45.3 -35.02 3.21 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.53 -179.774 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.645 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.01 -33.15 17.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.236 -179.14 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.5 p -126.92 14.51 7.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.414 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HE2' ' CD2' ' B' ' 3' ' ' TYR . 4.3 mmmm 50.93 36.42 14.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.542 179.748 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.779 HG23 ' O ' ' B' ' 4' ' ' LYS . 95.6 m -129.37 143.18 50.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.207 0.527 . . . . 0.0 111.997 -178.81 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.524 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 2.5 m-85 -109.81 149.62 29.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.202 179.453 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 4.3 p -121.93 127.57 50.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.987 0.422 . . . . 0.0 111.145 179.251 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.6 t -105.69 106.57 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.314 179.342 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.699 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 32.7 m -99.69 115.47 29.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.469 -179.307 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.443 ' HG2' ' HB2' ' A' ' 36' ' ' ASP . 3.9 tm-20 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.601 -179.867 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.428 ' HG3' ' CE1' ' B' ' 3' ' ' TYR . 11.2 tpt . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.677 0.275 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -111.48 146.78 36.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.975 0.417 . . . . 0.0 111.255 -179.633 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.464 ' CD2' ' HE2' ' A' ' 50' ' ' LYS . 10.1 m-85 -132.3 151.67 51.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.29 179.629 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.779 ' O ' HG23 ' A' ' 51' ' ' THR . 87.8 tttt -109.7 109.96 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 111.366 -179.701 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.763 HG21 HG21 ' B' ' 30' ' ' VAL . 69.9 t -94.89 136.0 27.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.172 179.292 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.782 HG22 ' OD1' ' B' ' 8' ' ' ASN . 78.2 mt -114.87 135.34 55.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.034 -179.167 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 13.9 mt -113.18 104.96 12.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.627 -179.379 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.782 ' OD1' HG22 ' B' ' 6' ' ' ILE . 6.1 m120 -109.03 107.82 18.3 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.555 -179.67 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.51 -166.14 15.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.296 179.389 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -75.6 -55.58 5.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.939 0.4 . . . . 0.0 110.749 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.465 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 15.6 p -110.07 8.88 24.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.711 -179.035 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.982 HD13 ' HB ' ' A' ' 18' ' ' THR . 26.9 tp -140.2 138.34 35.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.115 0.483 . . . . 0.0 111.639 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.477 ' H ' HD12 ' B' ' 12' ' ' LEU . 51.9 mtmt -145.73 148.14 32.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.068 179.077 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -176.22 -173.31 41.77 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 119.81 -1.186 . . . . 0.0 113.775 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 51.4 mp0 -140.12 137.66 34.66 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.842 0.353 . . . . 0.0 110.317 179.755 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.74 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -138.8 169.03 18.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.45 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.535 HG22 ' HA ' ' B' ' 4' ' ' LYS . 49.5 p -143.45 120.12 11.14 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.705 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.968 ' HB ' HD13 ' A' ' 12' ' ' LEU . 15.1 t -108.28 142.82 38.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.477 178.528 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -104.94 115.96 31.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.485 0.183 . . . . 0.0 110.566 179.853 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -149.14 154.9 39.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.245 0.545 . . . . 0.0 112.041 -179.563 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 24.0 t -50.61 -24.37 2.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.162 -0.926 . . . . 0.0 112.153 -178.605 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' B' ' 24' ' ' ALA . 6.0 p-10 -158.08 170.74 21.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.912 0.387 . . . . 0.0 111.437 179.609 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.524 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -59.34 -41.04 88.24 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.472 179.81 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.455 ' HB3' ' OD2' ' B' ' 22' ' ' ASP . . . -64.71 -55.5 19.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.907 179.277 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.871 ' O ' HG23 ' B' ' 29' ' ' VAL . 10.9 p -53.55 -42.17 67.22 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.216 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.929 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -61.92 -49.3 76.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.503 178.065 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.475 ' HG2' ' HE3' ' B' ' 31' ' ' LYS . 39.1 tt0 -57.47 -44.99 85.3 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.61 179.43 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.4 ' HA ' ' HG2' ' B' ' 31' ' ' LYS . 33.6 mmtp -64.39 -43.57 94.01 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.36 179.492 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.871 HG23 ' O ' ' B' ' 25' ' ' THR . 96.1 t -60.41 -40.48 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.944 179.144 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.929 HG23 ' O ' ' B' ' 26' ' ' ALA . 43.9 t -60.69 -43.34 94.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 178.57 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.566 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 28.2 mmtp -47.25 -51.6 18.4 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.287 0.565 . . . . 0.0 109.849 179.008 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.453 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 34.7 tp60 -56.59 -36.81 69.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.01 179.652 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.902 ' CG ' HD23 ' A' ' 12' ' ' LEU . 43.7 t80 -52.68 -66.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.004 179.287 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.452 ' HZ ' HD11 ' B' ' 7' ' ' LEU . 31.2 m-85 -66.82 -38.88 87.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.845 179.436 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.523 ' ND2' HG22 ' A' ' 39' ' ' VAL . 28.2 t-20 -52.7 -37.78 59.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.423 0.63 . . . . 0.0 109.649 178.306 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.453 ' OD2' ' NE2' ' B' ' 32' ' ' GLN . 42.6 m-20 -94.25 -26.42 16.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.868 -1.06 . . . . 0.0 112.627 -179.511 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' B' ' 38' ' ' GLY . 24.1 m120 -78.68 -41.9 29.95 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.049 0.452 . . . . 0.0 110.048 179.532 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.85 -115.52 0.0 OUTLIER Glycine 0 CA--C 1.521 0.452 0 CA-C-N 114.605 -1.18 . . . . 0.0 115.688 179.78 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.521 HG22 ' ND2' ' A' ' 35' ' ' ASN . 86.0 t -84.63 -55.4 6.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 115.78 1.77 . . . . 0.0 115.78 -175.832 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -89.56 26.21 1.78 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -176.605 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.65 161.68 52.59 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 119.715 -1.231 . . . . 0.0 111.582 179.049 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -88.05 96.03 10.36 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 117.063 0.431 . . . . 0.0 110.384 179.75 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.638 ' HH2' HG12 ' A' ' 30' ' ' VAL . 6.9 m0 -99.04 118.95 36.97 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -178.398 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 71.5 p -110.93 138.49 47.27 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 177.654 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.503 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 8.4 t80 -110.15 144.33 38.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.873 0.368 . . . . 0.0 111.694 -178.704 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.643 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.3 t0 -123.29 81.81 1.93 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.584 179.502 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.43 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 52.7 m-20 -45.41 -34.95 3.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.461 -179.641 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.643 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.0 -33.18 17.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.263 -179.182 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -126.85 14.43 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.384 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.466 ' HE2' ' CD2' ' A' ' 3' ' ' TYR . 4.3 mmmm 51.03 36.3 14.94 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.852 0.358 . . . . 0.0 110.597 179.754 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 4' ' ' LYS . 95.5 m -129.29 143.11 50.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.103 0.478 . . . . 0.0 112.107 -178.77 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.524 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 2.4 m-85 -109.81 149.79 29.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.159 179.449 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 4.3 p -121.95 127.62 50.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.918 0.39 . . . . 0.0 111.158 179.272 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 81.7 t -105.71 106.44 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.262 179.442 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.69 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 32.5 m -99.63 115.46 29.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.46 -179.317 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.444 ' HG2' ' HB2' ' B' ' 36' ' ' ASP . 3.9 tm-20 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.668 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -121.78 146.13 47.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.973 0.416 . . . . 0.0 111.409 -179.648 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.762 ' O ' HG23 ' B' ' 51' ' ' THR . 2.6 tpmt? -96.43 103.8 15.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.129 179.566 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.671 ' HB ' HG23 ' A' ' 16' ' ' THR . 60.1 t -95.15 113.84 30.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.155 0.503 . . . . 0.0 111.08 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.413 HG13 ' CG2' ' B' ' 51' ' ' THR . 74.7 mt -95.1 119.22 42.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.001 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.481 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.9 mt -99.24 84.96 3.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.778 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.657 ' O ' ' HA ' ' B' ' 55' ' ' THR . 32.6 t-20 -93.95 108.97 20.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.424 -178.001 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.512 ' HA2' ' HG2' ' B' ' 56' ' ' GLU . . . -117.52 -169.39 14.87 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.303 -0.951 . . . . 0.0 112.605 179.606 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -82.69 -58.05 3.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.156 0.503 . . . . 0.0 110.328 179.779 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.419 ' HB ' HG11 ' B' ' 29' ' ' VAL . 3.2 p -100.46 -0.49 37.9 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.662 179.653 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.962 HD13 ' HB ' ' B' ' 18' ' ' THR . 21.1 tp -136.39 136.26 39.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.032 -179.545 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.484 ' H ' HD12 ' A' ' 12' ' ' LEU . 59.2 mttp -145.1 145.23 31.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.27 179.792 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.57 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 177.78 -165.26 34.77 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 119.962 -1.113 . . . . 0.0 113.552 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -149.59 142.17 24.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.986 0.422 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.73 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -139.14 168.86 18.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.726 179.827 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.701 HG22 ' HE3' ' A' ' 4' ' ' LYS . 69.6 p -141.36 123.86 15.86 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.763 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.972 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.3 t -111.46 144.61 40.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.667 178.753 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -106.21 118.26 36.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.581 0.229 . . . . 0.0 110.385 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.1 151.9 35.23 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.303 0.573 . . . . 0.0 112.182 -179.379 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.78 -28.24 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.779 -179.075 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.451 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 5.1 p-10 -153.79 171.65 18.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 0.0 111.503 179.55 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.567 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -58.77 -41.83 87.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 -179.663 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.47 -55.69 22.09 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.354 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.898 ' O ' HG23 ' A' ' 29' ' ' VAL . 25.2 p -51.73 -44.54 63.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.185 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.884 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.61 -51.41 69.52 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 178.127 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -54.26 -45.43 72.4 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.152 178.933 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 46.5 mmtm -64.88 -46.24 82.62 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.716 179.672 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 25' ' ' THR . 87.4 t -57.13 -39.86 69.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.998 179.298 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 26' ' ' ALA . 27.1 t -61.61 -43.82 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.638 178.848 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.543 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 1.0 OUTLIER -49.19 -49.03 44.59 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.153 0.501 . . . . 0.0 110.012 179.497 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.51 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -57.22 -36.43 70.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.721 179.005 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.873 ' CG ' HD23 ' B' ' 12' ' ' LEU . 41.7 t80 -55.0 -64.99 0.66 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.06 179.428 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.475 ' CE1' ' CE1' ' B' ' 34' ' ' PHE . 24.8 m-85 -66.65 -38.88 87.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.578 179.416 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.406 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 31.6 t-20 -51.25 -38.17 51.15 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.508 0.67 . . . . 0.0 109.838 178.529 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.24 -22.39 18.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.122 -179.879 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.459 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.8 m-20 -83.65 -46.82 11.91 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.568 179.667 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -11.41 -112.04 0.0 OUTLIER Glycine 0 CA--C 1.521 0.429 0 N-CA-C 115.605 1.002 . . . . 0.0 115.605 -179.697 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 39' ' ' VAL . 25.0 t -108.44 3.86 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -176.566 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.66 10.88 7.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.536 0.607 . . . . 0.0 111.931 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.48 172.32 53.53 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.568 -0.825 . . . . 0.0 113.345 -179.349 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -103.63 110.0 21.9 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.847 0.356 . . . . 0.0 110.374 179.71 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.545 ' HH2' HG12 ' B' ' 30' ' ' VAL . 5.9 m0 -105.53 123.75 48.42 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.425 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.447 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 56.8 p -108.73 138.75 44.54 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.97 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.437 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 21.2 t80 -110.48 144.32 39.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.071 0.462 . . . . 0.0 112.216 -178.561 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -123.27 81.82 1.93 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.364 179.39 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.95 -36.56 12.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.837 -179.301 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.53 -31.97 11.38 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -178.962 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.5 p -128.2 14.87 6.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.587 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm 48.16 34.85 4.69 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.958 0.408 . . . . 0.0 110.457 -179.469 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.766 HG23 ' O ' ' B' ' 4' ' ' LYS . 92.7 m -117.78 140.25 49.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.579 -179.095 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.569 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 2.5 m-85 -108.42 140.97 40.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.173 179.412 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.447 ' HG1' ' HG1' ' A' ' 44' ' ' THR . 3.0 p -117.83 122.84 44.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.103 0.478 . . . . 0.0 111.325 179.324 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.0 t -102.95 107.16 21.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.879 179.308 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.657 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 25.2 m -102.72 117.66 35.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.422 -179.15 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.513 ' HG2' ' HA2' ' B' ' 9' ' ' GLY . 21.9 pt-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 91.1 mmm . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.949 0.404 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -106.5 143.04 35.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.018 179.145 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -121.78 146.25 47.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.924 0.392 . . . . 0.0 111.455 -179.712 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.766 ' O ' HG23 ' A' ' 51' ' ' THR . 2.6 tpmt? -96.36 103.72 15.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.196 179.619 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.675 ' HB ' HG23 ' B' ' 16' ' ' THR . 59.9 t -95.22 113.94 30.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.154 0.502 . . . . 0.0 111.062 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.412 HG13 ' CG2' ' A' ' 51' ' ' THR . 74.4 mt -95.19 119.15 42.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.944 179.92 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.0 mt -99.28 84.88 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.564 179.79 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.657 ' O ' ' HA ' ' A' ' 55' ' ' THR . 32.7 t-20 -94.0 109.03 20.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.369 -177.92 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.513 ' HA2' ' HG2' ' A' ' 56' ' ' GLU . . . -117.57 -169.32 14.83 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.266 -0.969 . . . . 0.0 112.569 179.623 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -82.85 -58.0 3.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.022 0.439 . . . . 0.0 110.256 179.921 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.417 ' HB ' HG11 ' A' ' 29' ' ' VAL . 3.2 p -100.42 -0.57 37.85 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.631 179.583 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.972 HD13 ' HB ' ' A' ' 18' ' ' THR . 21.0 tp -136.33 136.28 39.59 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.657 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.483 ' H ' HD12 ' B' ' 12' ' ' LEU . 59.3 mttp -145.1 145.31 31.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.279 179.81 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.569 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 177.72 -165.25 34.78 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.841 -1.171 . . . . 0.0 113.477 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -149.65 142.2 24.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.995 0.426 . . . . 0.0 110.941 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.727 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -139.05 168.89 18.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.756 179.83 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.694 HG22 ' HE3' ' B' ' 4' ' ' LYS . 69.4 p -141.41 123.95 15.89 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -178.845 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.962 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.3 t -111.58 144.63 40.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.641 178.83 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -106.11 118.25 36.14 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.628 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -149.21 151.9 35.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.383 0.611 . . . . 0.0 112.141 -179.37 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -50.78 -28.33 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.746 -178.978 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.449 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 5.2 p-10 -153.71 171.6 18.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.881 0.372 . . . . 0.0 111.496 179.582 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.569 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -58.74 -41.89 87.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.157 -179.727 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.44 -55.61 22.86 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.296 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.896 ' O ' HG23 ' B' ' 29' ' ' VAL . 25.5 p -51.75 -44.56 63.36 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.156 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.888 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.61 -51.37 69.71 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 178.096 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -54.33 -45.35 72.63 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.119 179.018 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' HG2' ' B' ' 31' ' ' LYS . 46.5 mmtm -64.86 -46.28 82.51 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.728 179.69 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.896 HG23 ' O ' ' B' ' 25' ' ' THR . 86.0 t -57.16 -39.8 69.3 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.044 179.286 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.888 HG23 ' O ' ' B' ' 26' ' ' ALA . 27.5 t -61.6 -43.93 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.551 178.83 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.543 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -49.17 -48.93 44.62 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.096 0.474 . . . . 0.0 110.011 179.544 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.512 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -57.31 -36.46 71.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.709 178.993 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.874 ' CG ' HD23 ' A' ' 12' ' ' LEU . 41.3 t80 -54.97 -64.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.094 179.459 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.475 ' CE1' ' CE1' ' A' ' 34' ' ' PHE . 24.8 m-85 -66.77 -38.8 87.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.521 179.398 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.404 ' HB3' ' HA ' ' B' ' 32' ' ' GLN . 31.5 t-20 -51.42 -38.13 52.0 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.452 0.644 . . . . 0.0 109.796 178.608 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.06 -22.56 18.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.901 -1.045 . . . . 0.0 112.243 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.459 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.8 m-20 -83.65 -46.72 12.01 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.475 179.777 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -11.41 -112.08 0.0 OUTLIER Glycine 0 CA--C 1.522 0.472 0 N-CA-C 115.526 0.97 . . . . 0.0 115.526 -179.733 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.654 HG12 ' O ' ' B' ' 39' ' ' VAL . 25.3 t -108.55 3.96 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -176.531 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.68 10.95 7.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.763 -0.586 . . . . 0.0 111.889 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.5 172.38 53.55 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.621 -0.799 . . . . 0.0 113.281 -179.354 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -103.71 109.86 21.73 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.796 0.331 . . . . 0.0 110.384 179.7 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.549 ' HH2' HG12 ' A' ' 30' ' ' VAL . 5.9 m0 -105.5 123.82 48.53 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.373 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.467 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 56.5 p -108.79 138.8 44.55 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.999 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.435 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 21.3 t80 -110.5 144.28 39.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.161 0.505 . . . . 0.0 112.146 -178.536 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -123.29 81.85 1.93 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.331 179.324 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.87 -36.69 12.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.818 -179.36 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.44 -31.92 10.8 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.989 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 67.4 p -128.32 14.87 6.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.523 179.915 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm 48.21 34.8 4.72 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.008 0.433 . . . . 0.0 110.451 -179.501 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 4' ' ' LYS . 92.5 m -117.69 140.28 49.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.626 -179.073 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.567 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 2.5 m-85 -108.5 140.94 41.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.14 179.434 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.467 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 3.0 p -117.83 122.89 44.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.172 0.51 . . . . 0.0 111.209 179.373 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.0 t -102.92 107.15 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.903 179.224 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.657 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 25.6 m -102.84 117.8 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.267 -179.081 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.512 ' HG2' ' HA2' ' A' ' 9' ' ' GLY . 21.9 pt-20 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.793 -179.879 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.424 ' NE2' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.791 0.329 . . . . 0.0 110.671 . . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.462 ' CE2' ' HE3' ' B' ' 50' ' ' LYS . 2.2 m-85 -129.58 148.03 51.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.804 -179.824 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.779 ' O ' HG23 ' B' ' 51' ' ' THR . 7.2 ttpm? -103.77 108.89 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 179.795 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.734 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.5 t -94.77 130.59 43.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.094 0.474 . . . . 0.0 111.2 -179.711 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.443 ' CD1' HG21 ' B' ' 51' ' ' THR . 74.4 mt -105.53 121.53 57.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.643 179.714 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.436 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.3 mt -99.85 91.9 5.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.874 -179.906 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.643 ' O ' ' HA ' ' B' ' 55' ' ' THR . 32.5 t-20 -100.08 108.31 20.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.477 . . . . 0.0 112.263 -178.086 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.482 ' HA2' ' HG3' ' B' ' 56' ' ' GLU . . . -115.72 -169.56 15.71 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.514 179.63 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.462 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.4 mtmp? -75.05 -54.87 6.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.659 0.266 . . . . 0.0 111.179 -179.82 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.576 ' OG1' HG13 ' B' ' 29' ' ' VAL . 7.0 p -111.31 10.57 21.64 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.246 -179.235 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.989 HD13 ' HB ' ' B' ' 18' ' ' THR . 28.9 tp -138.97 138.93 37.73 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.122 0.487 . . . . 0.0 111.419 -179.39 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.473 ' H ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -144.61 144.6 31.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.2 179.705 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -176.55 -172.83 41.61 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.14 -1.028 . . . . 0.0 113.176 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -143.21 137.14 28.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.908 0.385 . . . . 0.0 110.462 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.778 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -134.84 167.34 21.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.101 -179.663 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.484 ' O ' HD12 ' B' ' 12' ' ' LEU . 51.6 p -143.28 119.42 10.76 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.861 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' THR . . . . . 1.002 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.2 t -108.03 145.02 34.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.368 178.619 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -107.33 114.14 27.98 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.466 179.594 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.563 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -144.95 152.54 40.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.267 0.556 . . . . 0.0 112.02 -179.332 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.5 t -50.98 -25.79 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.971 -178.967 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.47 ' OD2' ' HB3' ' A' ' 24' ' ' ALA . 9.9 p-10 -158.31 172.96 17.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.973 0.416 . . . . 0.0 111.487 179.719 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.86 86.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.115 -179.777 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.47 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -63.64 -53.86 44.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.216 179.517 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.869 ' O ' HG23 ' A' ' 29' ' ' VAL . 10.8 p -55.35 -43.22 74.81 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.383 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -60.93 -51.98 66.98 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.033 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.63 -47.5 58.36 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.454 179.103 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -62.8 -45.84 90.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.953 179.237 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 25' ' ' THR . 94.4 t -53.22 -43.37 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.076 179.089 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.608 HG12 ' HH2' ' B' ' 43' ' ' TRP . 48.4 t -63.78 -46.43 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.706 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 53.0 mtpt -50.85 -47.36 60.35 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 120.762 0.315 . . . . 0.0 110.41 179.078 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.423 ' NE2' ' OD2' ' A' ' 36' ' ' ASP . 35.8 tp60 -60.93 -38.1 84.62 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.887 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.935 ' CG ' HD23 ' B' ' 12' ' ' LEU . 56.2 t80 -53.59 -62.67 1.5 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.183 179.268 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.402 ' HB3' ' HA2' ' B' ' 38' ' ' GLY . 27.7 m-85 -68.44 -38.8 81.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.599 179.337 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.507 ' ND2' HG21 ' B' ' 39' ' ' VAL . 32.5 t-20 -50.54 -38.75 46.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.457 0.646 . . . . 0.0 109.727 178.604 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.423 ' OD2' ' NE2' ' A' ' 32' ' ' GLN . 57.4 m-20 -94.44 -23.11 17.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.808 -1.087 . . . . 0.0 112.317 -179.822 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.513 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.9 m-20 -82.09 -46.71 13.51 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.332 179.544 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -8.56 -114.24 0.0 OUTLIER Glycine 0 C--N 1.331 0.291 0 N-CA-C 115.567 0.987 . . . . 0.0 115.567 179.905 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.65 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.7 t -111.17 5.07 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -176.543 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -125.25 10.5 8.05 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.741 -0.599 . . . . 0.0 111.928 -179.83 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.45 173.42 54.83 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.876 -179.569 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 47.8 mp0 -95.9 101.67 13.38 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.711 0.291 . . . . 0.0 110.298 179.562 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.614 ' HH2' HG12 ' B' ' 30' ' ' VAL . 9.6 m95 -96.12 115.88 28.12 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -178.367 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.2 p -109.58 138.21 46.27 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.077 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 7.0 t80 -112.98 142.85 45.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.724 0.297 . . . . 0.0 111.38 -178.978 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.507 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 65.2 t0 -123.3 84.11 2.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.709 179.684 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 12.5 m-20 -48.91 -35.71 15.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 0.0 111.35 -179.823 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.507 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.36 -35.46 28.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.084 -179.428 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.0 p -122.31 13.45 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.466 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HE3' ' CE2' ' B' ' 3' ' ' TYR . 9.3 mmmm 49.9 34.22 7.58 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.816 0.341 . . . . 0.0 110.541 179.916 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.781 HG23 ' O ' ' B' ' 4' ' ' LYS . 93.4 m -125.86 144.25 50.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.118 0.485 . . . . 0.0 112.025 -178.574 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.9 m-85 -109.51 139.45 44.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.211 179.31 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -116.46 123.08 46.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.177 0.513 . . . . 0.0 111.289 179.272 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.5 t -107.15 112.58 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.043 179.33 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.647 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 19.1 m -101.88 112.23 24.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.904 -179.456 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' HG3' ' HA2' ' B' ' 9' ' ' GLY . 1.7 pp20? . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.816 -179.577 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.509 ' HE3' ' CZ ' ' B' ' 3' ' ' TYR . 36.5 ttp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.707 0.289 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.422 ' C ' ' NE2' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -107.94 144.62 34.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.679 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.509 ' CZ ' ' HE3' ' B' ' 1' ' ' MET . 2.2 m-85 -129.66 148.01 51.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.849 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.781 ' O ' HG23 ' A' ' 51' ' ' THR . 7.1 ttpm? -103.66 108.77 20.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.645 179.841 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.735 ' HB ' HG23 ' B' ' 16' ' ' THR . 60.9 t -94.83 130.63 43.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.092 0.472 . . . . 0.0 111.266 -179.738 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.449 ' CD1' HG21 ' A' ' 51' ' ' THR . 74.8 mt -105.48 121.47 57.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.654 179.757 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.3 mt -99.85 91.96 5.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.84 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.647 ' O ' ' HA ' ' A' ' 55' ' ' THR . 32.5 t-20 -100.03 108.25 20.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.297 -178.142 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.473 ' HA2' ' HG3' ' A' ' 56' ' ' GLU . . . -115.8 -169.59 15.68 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.302 -0.951 . . . . 0.0 112.434 179.692 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.465 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.4 mtmp? -74.94 -54.97 6.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.79 0.329 . . . . 0.0 111.205 -179.762 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.572 ' OG1' HG13 ' A' ' 29' ' ' VAL . 7.1 p -111.17 10.47 21.86 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.243 -179.226 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 1.002 HD13 ' HB ' ' A' ' 18' ' ' THR . 29.2 tp -139.0 138.81 37.58 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.104 0.478 . . . . 0.0 111.436 -179.26 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.47 ' H ' HD12 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -144.56 144.65 31.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.213 179.694 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -176.56 -172.85 41.64 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.164 -1.017 . . . . 0.0 113.156 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -143.24 137.08 28.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.976 0.417 . . . . 0.0 110.496 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.769 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -134.81 167.48 20.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.067 -179.705 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.487 ' O ' HD12 ' A' ' 12' ' ' LEU . 52.1 p -143.37 119.5 10.76 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -178.892 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.989 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.4 t -107.99 145.01 34.49 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.406 178.55 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -107.47 114.28 28.18 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 179.662 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -145.01 152.51 40.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.294 0.569 . . . . 0.0 112.011 -179.378 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.1 t -50.92 -25.89 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.936 -179.006 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.477 ' OD2' ' HB3' ' B' ' 24' ' ' ALA . 9.8 p-10 -158.32 172.98 17.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.923 0.392 . . . . 0.0 111.415 179.761 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.49 -41.79 86.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.079 -179.721 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.477 ' HB3' ' OD2' ' B' ' 22' ' ' ASP . . . -63.83 -53.8 45.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.074 179.642 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.869 ' O ' HG23 ' B' ' 29' ' ' VAL . 10.9 p -55.36 -43.26 74.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.388 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.561 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -60.9 -52.03 66.75 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.029 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -50.46 -47.67 56.83 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.407 179.054 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -62.82 -45.78 91.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.047 179.274 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.869 HG23 ' O ' ' B' ' 25' ' ' THR . 94.1 t -53.2 -43.42 49.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.075 179.01 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.614 HG12 ' HH2' ' A' ' 43' ' ' TRP . 48.1 t -63.77 -46.34 94.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.321 178.676 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.449 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 53.0 mtpt -50.82 -47.48 60.03 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.378 178.999 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.423 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 35.8 tp60 -60.82 -38.19 84.58 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.91 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.937 ' CG ' HD23 ' A' ' 12' ' ' LEU . 55.7 t80 -53.43 -62.67 1.5 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.279 179.217 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.41 ' HB3' ' HA2' ' A' ' 38' ' ' GLY . 27.7 m-85 -68.48 -38.77 81.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.656 179.272 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.509 ' ND2' HG21 ' A' ' 39' ' ' VAL . 32.6 t-20 -50.53 -38.77 46.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.51 0.672 . . . . 0.0 109.746 178.536 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.423 ' OD2' ' NE2' ' B' ' 32' ' ' GLN . 57.2 m-20 -94.36 -23.12 17.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.856 -1.066 . . . . 0.0 112.472 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.515 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.8 m-20 -82.0 -46.8 13.47 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.317 179.513 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -8.52 -114.25 0.0 OUTLIER Glycine 0 CA--C 1.52 0.395 0 N-CA-C 115.541 0.976 . . . . 0.0 115.541 179.935 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.643 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.7 t -111.24 5.05 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -176.384 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -125.19 10.47 8.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.734 -0.604 . . . . 0.0 111.921 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.42 173.45 54.85 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.0 -179.65 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 47.7 mp0 -95.93 101.72 13.43 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.759 0.314 . . . . 0.0 110.229 179.563 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.608 ' HH2' HG12 ' A' ' 30' ' ' VAL . 9.7 m95 -96.05 115.86 28.07 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -178.455 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.409 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 73.6 p -109.58 138.26 46.21 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.08 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 6.9 t80 -113.08 142.92 45.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 111.331 -178.933 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.514 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 65.2 t0 -123.37 84.17 2.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.599 179.762 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.415 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 12.6 m-20 -49.05 -35.64 16.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.297 -179.846 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.514 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.33 -35.6 28.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.042 -179.451 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 76.3 p -122.24 13.43 10.37 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.43 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.462 ' HE3' ' CE2' ' A' ' 3' ' ' TYR . 9.3 mmmm 49.91 34.24 7.64 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.689 0.281 . . . . 0.0 110.493 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.779 HG23 ' O ' ' A' ' 4' ' ' LYS . 93.3 m -125.81 144.29 50.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.198 0.523 . . . . 0.0 112.096 -178.666 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 2.9 m-85 -109.54 139.47 44.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.176 179.306 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.409 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 3.0 p -116.45 123.17 46.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.12 0.486 . . . . 0.0 111.189 179.283 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.08 112.49 40.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.141 179.217 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.643 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 19.0 m -101.79 112.24 24.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.99 -179.502 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.482 ' HG3' ' HA2' ' A' ' 9' ' ' GLY . 1.7 pp20? . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.772 -179.549 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 N--CA 1.456 -0.151 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.54 ' CD2' ' HB3' ' B' ' 50' ' ' LYS . 49.0 m-85 -127.15 144.83 50.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.843 0.354 . . . . 0.0 111.255 -179.695 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.506 ' HA ' HG22 ' A' ' 17' ' ' THR . 5.1 tppp? -99.08 108.61 21.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.44 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.781 ' HB ' HG23 ' A' ' 16' ' ' THR . 47.5 t -94.61 126.95 46.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.051 0.453 . . . . 0.0 110.738 179.781 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.1 mt -104.44 119.41 53.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.93 -179.673 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.493 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.0 mt -98.69 88.04 3.95 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.483 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.705 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.4 t-20 -94.09 102.76 14.83 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -177.588 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.22 151.89 17.43 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.76 178.743 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HD3' ' HG3' ' B' ' 56' ' ' GLU . 4.3 mptp? -51.03 -52.53 42.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.789 0.328 . . . . 0.0 111.629 -179.532 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 p -99.18 -6.4 28.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.619 -179.103 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.95 HD13 ' HB ' ' B' ' 18' ' ' THR . 14.4 tp -134.04 135.78 43.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.921 -179.707 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.509 ' H ' HD12 ' A' ' 12' ' ' LEU . 60.8 mttp -144.92 143.2 30.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.604 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.537 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.71 -168.71 38.35 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.258 -0.972 . . . . 0.0 113.217 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -147.07 142.11 27.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.768 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.781 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -140.1 168.95 18.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.064 -179.72 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.506 HG22 ' HA ' ' A' ' 4' ' ' LYS . 73.2 p -143.68 121.09 11.66 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -179.041 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.95 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.7 t -106.07 144.7 32.41 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.451 178.303 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -103.92 112.33 25.26 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.428 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.748 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -143.35 149.4 37.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.198 0.523 . . . . 0.0 111.839 -179.307 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.7 t -50.94 -25.63 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.93 -179.068 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.483 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -156.09 178.14 10.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 111.402 179.683 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.07 99.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.588 -179.574 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.67 -54.08 44.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.452 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.867 ' O ' HG23 ' A' ' 29' ' ' VAL . 48.2 p -50.49 -45.39 56.35 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.233 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.669 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.65 -52.5 65.26 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.547 178.266 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 41.2 tt0 -54.85 -46.7 74.71 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 179.467 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.459 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 4.0 mmmp? -60.89 -45.71 93.49 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.07 179.316 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 25' ' ' THR . 90.3 t -57.97 -39.38 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.923 179.01 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.744 HG12 ' CH2' ' B' ' 43' ' ' TRP . 60.2 t -66.6 -49.31 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 177.969 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.592 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 33.4 mmtm -46.48 -52.27 13.56 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-O 121.221 0.534 . . . . 0.0 109.621 178.478 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.455 ' NE2' ' OD2' ' A' ' 36' ' ' ASP . 34.4 tp60 -60.87 -37.89 83.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.032 179.531 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.869 ' CG ' HD23 ' B' ' 12' ' ' LEU . 39.8 t80 -53.09 -64.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.238 179.357 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -68.48 -39.53 81.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.866 179.482 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.503 HD22 HG22 ' B' ' 39' ' ' VAL . 27.5 t-20 -52.06 -37.88 55.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.517 0.675 . . . . 0.0 109.538 178.399 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.455 ' OD2' ' NE2' ' A' ' 32' ' ' GLN . 29.8 m-20 -94.12 -26.4 16.73 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 114.785 -1.098 . . . . 0.0 112.573 -179.484 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.443 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.1 m-20 -77.48 -40.51 42.77 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.005 0.431 . . . . 0.0 109.953 179.393 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -8.07 -117.68 0.0 OUTLIER Glycine 0 CA--C 1.521 0.43 0 CA-C-N 114.578 -1.192 . . . . 0.0 115.936 -179.838 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.496 HG22 HD22 ' B' ' 35' ' ' ASN . 83.0 t -81.86 -55.62 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -175.937 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.36 26.06 1.77 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -177.032 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.19 144.67 48.1 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 119.985 -1.102 . . . . 0.0 112.46 179.405 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -79.34 94.72 5.54 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.499 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.747 ' CH2' HG12 ' B' ' 30' ' ' VAL . 6.4 m0 -107.56 132.65 53.03 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.639 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.9 p -112.47 141.82 45.76 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.239 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.5 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 20.7 t80 -111.87 145.5 39.39 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -178.231 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.455 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.2 t0 -123.51 81.86 1.94 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.979 178.908 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.01 -36.9 8.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.962 -179.187 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.455 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.14 -33.94 20.59 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.189 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.6 p -128.6 13.4 6.46 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.705 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.538 ' HB3' ' CD2' ' B' ' 3' ' ' TYR . 14.0 mptt 52.48 28.65 6.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.812 0.339 . . . . 0.0 110.615 -179.14 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 88.5 m -106.56 134.66 49.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.12 0.486 . . . . 0.0 111.904 -178.826 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 1.9 m-85 -111.41 142.07 44.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.469 178.981 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.2 p -119.54 121.39 39.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.044 0.449 . . . . 0.0 111.548 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.6 t -101.65 107.3 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.36 179.477 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.704 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 36.3 m -103.65 119.49 39.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.158 -179.481 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.486 ' HG2' ' HA2' ' B' ' 9' ' ' GLY . 16.8 pt-20 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.943 -179.601 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.999 0.428 . . . . 0.0 111.335 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -103.96 142.04 35.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.032 179.186 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.538 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 49.3 m-85 -127.2 144.81 50.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.927 0.394 . . . . 0.0 111.143 -179.663 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.51 ' HA ' HG22 ' B' ' 17' ' ' THR . 5.1 tppp? -99.07 108.56 21.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.529 179.832 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.781 ' HB ' HG23 ' B' ' 16' ' ' THR . 47.6 t -94.54 126.96 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.079 0.466 . . . . 0.0 110.691 179.829 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 68.4 mt -104.48 119.46 53.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.905 -179.716 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.0 mt -98.72 87.98 3.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.473 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.704 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.6 t-20 -94.01 102.81 14.9 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.612 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.29 151.86 17.42 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.122 -0.561 . . . . 0.0 111.732 178.755 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.411 ' HD3' ' HG3' ' A' ' 56' ' ' GLU . 4.3 mptp? -50.9 -52.65 39.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 111.611 -179.484 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 19.5 p -99.16 -6.4 28.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.576 -179.021 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.95 HD13 ' HB ' ' A' ' 18' ' ' THR . 14.5 tp -134.02 135.78 43.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.865 -179.68 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.507 ' H ' HD12 ' B' ' 12' ' ' LEU . 60.8 mttp -144.94 143.23 30.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.654 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.534 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.69 -168.66 38.27 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.279 -0.962 . . . . 0.0 113.216 -179.892 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -147.12 142.23 27.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.934 0.397 . . . . 0.0 110.724 179.853 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.781 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.1 OUTLIER -140.16 168.85 18.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.098 -179.678 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.51 HG22 ' HA ' ' B' ' 4' ' ' LYS . 73.3 p -143.59 120.99 11.65 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -179.058 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.95 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.7 t -106.04 144.63 32.48 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.491 178.227 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -103.82 112.35 25.27 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.392 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.745 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -143.3 149.41 37.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.154 0.502 . . . . 0.0 111.92 -179.219 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 t -51.0 -25.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.814 -179.007 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.485 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -156.04 178.21 10.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.857 0.36 . . . . 0.0 111.335 179.681 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.47 -43.11 99.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.583 -179.584 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.76 -53.96 46.3 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.582 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.868 ' O ' HG23 ' B' ' 29' ' ' VAL . 47.7 p -50.58 -45.22 57.1 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.241 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.672 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.8 -52.36 65.77 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.641 178.168 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 41.3 tt0 -54.83 -46.8 74.64 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.543 179.356 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.45 ' NZ ' ' HB3' ' B' ' 28' ' ' LYS . 4.0 mmmp? -60.82 -45.87 92.76 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.069 179.36 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.868 HG23 ' O ' ' B' ' 25' ' ' THR . 91.6 t -57.9 -39.38 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.912 179.021 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.747 HG12 ' CH2' ' A' ' 43' ' ' TRP . 59.8 t -66.63 -49.32 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.966 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.585 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 33.5 mmtm -46.29 -52.45 12.62 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.338 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.451 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 34.4 tp60 -60.75 -37.97 83.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.035 179.566 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.866 ' CG ' HD23 ' A' ' 12' ' ' LEU . 39.8 t80 -53.09 -64.1 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.207 179.361 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -68.45 -39.57 81.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.758 179.578 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.496 HD22 HG22 ' A' ' 39' ' ' VAL . 27.8 t-20 -51.92 -37.96 54.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.517 0.675 . . . . 0.0 109.516 178.441 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.451 ' OD2' ' NE2' ' B' ' 32' ' ' GLN . 29.6 m-20 -94.14 -26.32 16.75 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 114.775 -1.102 . . . . 0.0 112.634 -179.433 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.443 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.9 m-20 -77.5 -40.49 42.72 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.014 179.287 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -8.14 -117.67 0.0 OUTLIER Glycine 0 C--N 1.332 0.352 0 CA-C-N 114.607 -1.179 . . . . 0.0 115.978 -179.901 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.503 HG22 HD22 ' A' ' 35' ' ' ASN . 83.3 t -81.83 -55.68 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -175.924 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.23 25.95 1.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -177.099 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.19 144.66 48.09 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.013 -1.089 . . . . 0.0 112.333 179.538 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -79.33 94.7 5.53 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.435 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.744 ' CH2' HG12 ' A' ' 30' ' ' VAL . 6.4 m0 -107.57 132.57 53.13 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -178.608 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.424 ' OG1' ' OG1' ' B' ' 53' ' ' THR . 69.0 p -112.28 141.82 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 177.234 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 20.6 t80 -111.87 145.49 39.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.234 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.456 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.2 t0 -123.55 81.93 1.95 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.006 178.805 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.02 -36.99 8.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.886 -179.206 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.456 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.11 -33.83 20.04 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.158 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.6 p -128.7 13.33 6.4 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.711 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.54 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 14.0 mptt 52.52 28.58 6.14 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.902 0.382 . . . . 0.0 110.651 -179.177 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 88.6 m -106.62 134.6 49.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.159 0.504 . . . . 0.0 111.964 -178.838 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 1.9 m-85 -111.3 142.03 44.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.412 179.097 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.424 ' OG1' ' OG1' ' B' ' 44' ' ' THR . 3.3 p -119.49 121.31 39.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.185 0.517 . . . . 0.0 111.646 179.772 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 69.3 t -101.53 107.24 21.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.382 179.468 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.705 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 34.8 m -103.48 119.37 38.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.258 -179.597 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.491 ' HG2' ' HA2' ' A' ' 9' ' ' GLY . 16.8 pt-20 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.955 -179.634 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.456 ' NE2' ' HB ' ' A' ' 17' ' ' THR . 34.3 tp60 . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' ' 17' ' ' THR . 87.2 m-85 -116.83 146.37 42.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.0 0.429 . . . . 0.0 111.395 -179.515 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.612 ' O ' HG23 ' B' ' 51' ' ' THR . 55.0 tptt -108.71 100.53 9.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.0 179.843 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.604 ' HB ' HG23 ' A' ' 16' ' ' THR . 96.0 t -94.02 132.68 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.94 0.4 . . . . 0.0 110.952 -179.478 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.737 HG22 ' OD1' ' A' ' 8' ' ' ASN . 59.9 mt -112.05 133.11 58.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.501 -179.838 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.485 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 16.2 mt -111.81 93.64 4.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.656 -179.319 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.737 ' OD1' HG22 ' A' ' 6' ' ' ILE . 6.2 m120 -98.2 109.69 22.4 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.597 -179.462 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.401 ' HA3' ' HE1' ' B' ' 33' ' ' PHE . . . -116.37 -166.05 14.34 Favored Glycine 0 C--N 1.329 0.19 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.622 179.617 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.474 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.3 mtmp? -80.98 -55.9 4.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.885 0.374 . . . . 0.0 110.4 179.719 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.419 ' HB ' HG11 ' B' ' 29' ' ' VAL . 3.6 p -105.34 3.53 29.92 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.984 -179.501 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.009 HD13 ' HB ' ' B' ' 18' ' ' THR . 23.5 tp -139.6 138.73 36.43 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.179 0.514 . . . . 0.0 111.809 -179.21 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.517 ' H ' HD12 ' A' ' 12' ' ' LEU . 2.1 mptp? -143.89 145.4 32.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.639 179.113 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.25 -172.29 42.5 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 119.722 -1.227 . . . . 0.0 113.558 -179.826 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.513 ' HB3' ' HE3' ' A' ' 4' ' ' LYS . 52.9 mp0 -141.03 151.1 43.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.356 -0.422 . . . . 0.0 110.185 179.768 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.784 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -151.12 168.4 24.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.968 -179.583 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.54 HG22 ' HA ' ' A' ' 4' ' ' LYS . 71.8 p -143.43 120.64 11.51 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -178.731 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 18' ' ' THR . . . . . 1.011 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.9 t -112.1 147.19 36.59 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.525 178.511 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -110.07 120.9 43.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.506 0.193 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.507 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -149.11 153.61 38.01 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.202 0.525 . . . . 0.0 112.048 -179.808 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 t -51.15 -25.8 4.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.771 -179.07 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.47 ' OD1' HG23 ' A' ' 25' ' ' THR . 6.8 p-10 -157.42 174.35 15.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.964 0.411 . . . . 0.0 111.492 179.71 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.463 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -58.91 -42.8 90.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.198 -179.697 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.64 -56.6 18.11 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.325 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.849 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.6 p -50.58 -44.37 56.82 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 178.344 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.758 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.15 -51.97 67.31 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.974 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -51.65 -50.19 60.83 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.075 179.301 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -45.8 85.95 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.427 179.471 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 25' ' ' THR . 91.9 t -56.33 -40.54 67.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.552 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.769 ' CG2' HG21 ' A' ' 18' ' ' THR . 97.2 t -66.59 -49.7 72.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 177.737 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.455 ' HA ' ' CH2' ' B' ' 43' ' ' TRP . 95.4 mttt -46.77 -48.26 20.63 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.422 0.63 . . . . 0.0 110.274 178.358 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -59.42 -34.84 72.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.55 -179.896 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.856 ' CG ' HD23 ' B' ' 12' ' ' LEU . 35.7 t80 -54.9 -62.21 1.81 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.076 179.055 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -68.75 -40.76 79.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.766 179.579 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.414 ' ND2' HG22 ' B' ' 39' ' ' VAL . 31.0 t-20 -49.35 -38.89 29.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.601 0.715 . . . . 0.0 109.703 178.249 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -94.62 -24.84 17.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.742 -1.117 . . . . 0.0 112.795 -179.566 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 38' ' ' GLY . 21.8 m120 -76.37 -41.93 46.36 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.211 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.15 -120.11 0.0 OUTLIER Glycine 0 CA--C 1.521 0.426 0 CA-C-N 114.524 -1.216 . . . . 0.0 115.888 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.416 HG22 ' ND2' ' B' ' 35' ' ' ASN . 89.6 t -84.83 -55.33 7.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 -175.708 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -86.96 26.92 1.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -176.959 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.96 159.45 53.89 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 119.899 -1.143 . . . . 0.0 112.095 179.336 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -88.04 96.56 10.56 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.88 0.34 . . . . 0.0 110.217 179.32 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.562 ' CH2' HG12 ' B' ' 30' ' ' VAL . 7.2 m0 -100.29 121.33 41.31 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.157 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.422 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 62.2 p -105.67 135.0 47.87 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 177.665 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 14.1 t80 -106.71 142.04 37.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.96 0.41 . . . . 0.0 112.055 -178.548 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.459 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 65.2 t0 -123.57 81.23 1.88 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.372 179.074 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.48 -36.06 6.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.619 -179.52 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.459 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.01 -34.09 20.13 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -179.229 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.3 p -128.36 12.72 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.505 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm 54.09 30.68 12.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 110.334 -179.557 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.615 HG23 ' O ' ' B' ' 4' ' ' LYS . 95.3 m -105.11 149.39 25.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.731 -178.918 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.507 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 26.0 m-85 -125.36 95.32 4.43 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 121.36 0.6 . . . . 0.0 111.886 179.537 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.422 ' HG1' ' HG1' ' A' ' 44' ' ' THR . 2.7 p -75.42 126.45 31.04 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.302 179.313 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.7 t -112.24 111.54 36.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.978 179.345 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.645 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 26.4 m -100.5 116.24 31.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.914 0.387 . . . . 0.0 111.783 -178.986 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.312 -0.851 . . . . 0.0 111.315 179.909 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.454 ' HG3' ' CE1' ' B' ' 3' ' ' TYR . 52.5 tpp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.976 0.417 . . . . 0.0 111.572 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.454 ' NE2' ' HB ' ' B' ' 17' ' ' THR . 34.3 tp60 -98.36 129.9 45.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.403 178.792 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.454 ' CE1' ' HG3' ' B' ' 1' ' ' MET . 86.9 m-85 -116.92 146.39 43.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 0.0 111.462 -179.587 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.615 ' O ' HG23 ' A' ' 51' ' ' THR . 55.0 tptt -108.66 100.46 9.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.084 179.891 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.605 ' HB ' HG23 ' B' ' 16' ' ' THR . 94.7 t -93.98 132.74 37.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.967 0.413 . . . . 0.0 110.981 -179.451 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.741 HG22 ' OD1' ' B' ' 8' ' ' ASN . 60.0 mt -112.14 133.02 59.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.57 -179.888 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 16.0 mt -111.64 93.49 4.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 -179.219 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.741 ' OD1' HG22 ' B' ' 6' ' ' ILE . 6.2 m120 -98.1 109.66 22.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.528 -179.426 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.47 -165.98 14.27 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.555 179.602 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.473 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.3 mtmp? -81.02 -55.87 4.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.922 0.392 . . . . 0.0 110.443 179.743 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.412 ' HB ' HG11 ' A' ' 29' ' ' VAL . 3.6 p -105.3 3.55 30.04 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.025 -179.596 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 1.011 HD13 ' HB ' ' A' ' 18' ' ' THR . 23.6 tp -139.62 138.81 36.45 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.25 0.548 . . . . 0.0 111.809 -179.287 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.518 ' H ' HD12 ' B' ' 12' ' ' LEU . 2.1 mptp? -143.89 145.45 32.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.583 179.107 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.509 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.26 -172.23 42.45 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 119.774 -1.203 . . . . 0.0 113.544 -179.894 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.513 ' HB3' ' HE3' ' B' ' 4' ' ' LYS . 52.9 mp0 -141.07 151.14 43.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.403 -0.399 . . . . 0.0 110.219 179.712 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.777 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -151.15 168.46 24.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.989 -179.579 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.54 HG22 ' HA ' ' B' ' 4' ' ' LYS . 72.5 p -143.46 120.56 11.44 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -178.693 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 18' ' ' THR . . . . . 1.009 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.0 t -112.0 147.24 36.37 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.632 178.529 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -110.16 120.89 43.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.591 0.234 . . . . 0.0 110.787 -179.949 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.504 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -149.1 153.5 37.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.195 0.521 . . . . 0.0 112.101 -179.808 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 25.2 t -51.01 -25.89 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.871 -179.177 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.466 ' OD1' HG23 ' B' ' 25' ' ' THR . 6.8 p-10 -157.33 174.48 15.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 111.607 179.563 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.461 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -58.85 -43.01 90.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.669 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.62 -56.44 19.82 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.448 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.847 ' O ' HG23 ' B' ' 29' ' ' VAL . 26.0 p -50.67 -44.39 57.73 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.308 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.757 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.15 -51.77 68.18 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.936 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -51.83 -50.2 61.33 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.009 179.341 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -45.71 86.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.491 179.437 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.847 HG23 ' O ' ' B' ' 25' ' ' THR . 92.5 t -56.48 -40.4 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.538 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.763 ' CG2' HG21 ' B' ' 18' ' ' THR . 99.7 t -66.74 -49.5 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 177.732 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.453 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . 95.2 mttt -47.01 -48.22 21.9 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.375 0.607 . . . . 0.0 110.171 178.499 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -59.32 -34.9 72.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.595 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.861 ' CG ' HD23 ' A' ' 12' ' ' LEU . 35.6 t80 -54.86 -62.32 1.74 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.004 179.078 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -68.6 -40.67 80.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.868 179.61 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.416 ' ND2' HG22 ' A' ' 39' ' ' VAL . 30.9 t-20 -49.55 -38.72 31.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.618 0.723 . . . . 0.0 109.731 178.313 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -94.86 -24.71 16.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.668 -1.151 . . . . 0.0 112.769 -179.484 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' B' ' 38' ' ' GLY . 21.9 m120 -76.37 -41.86 46.63 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.062 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.18 -120.13 0.0 OUTLIER Glycine 0 CA--C 1.521 0.411 0 CA-C-N 114.465 -1.243 . . . . 0.0 115.884 179.841 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.414 HG22 ' ND2' ' A' ' 35' ' ' ASN . 88.7 t -84.91 -55.13 7.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 -175.731 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -86.9 26.79 1.08 Allowed 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -177.087 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.01 159.54 53.93 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 119.831 -1.176 . . . . 0.0 112.017 179.422 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -88.15 96.63 10.61 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.361 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.559 ' CH2' HG12 ' A' ' 30' ' ' VAL . 7.2 m0 -100.29 121.26 41.2 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.257 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 44' ' ' THR . . . . . 0.414 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 63.0 p -105.54 134.93 47.85 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.671 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.504 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 14.0 t80 -106.72 142.08 36.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.071 0.462 . . . . 0.0 112.062 -178.626 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.455 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 65.2 t0 -123.49 81.29 1.88 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.386 179.053 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.58 -35.99 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.552 -179.492 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.455 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.11 -34.09 20.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.261 -179.191 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 72.4 p -128.34 12.78 6.55 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.494 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm 54.1 30.63 12.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.938 0.399 . . . . 0.0 110.395 -179.565 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 4' ' ' LYS . 95.5 m -105.25 149.36 26.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.655 -178.819 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.504 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 25.9 m-85 -125.35 95.34 4.43 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.424 0.631 . . . . 0.0 111.907 179.539 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.414 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 2.7 p -75.45 126.51 31.16 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.356 179.311 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 71.8 t -112.19 111.51 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.047 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.651 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 26.3 m -100.56 116.23 32.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.92 0.391 . . . . 0.0 111.784 -178.917 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.258 179.979 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.403 ' O ' ' HA ' ' A' ' 17' ' ' THR . 4.3 m-85 -129.38 148.51 51.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.742 0.306 . . . . 0.0 110.944 -179.738 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.817 ' O ' HG23 ' B' ' 51' ' ' THR . 24.4 ttmm -108.01 107.84 18.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.172 179.716 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.66 HG13 ' HB2' ' B' ' 52' ' ' PHE . 61.9 t -94.12 124.09 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.394 0.616 . . . . 0.0 111.496 -179.091 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' B' ' 53' ' ' THR . 72.2 mt -94.92 120.67 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.32 179.298 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.458 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.6 mt -99.0 88.64 4.03 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.752 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.531 ' O ' ' HA ' ' B' ' 55' ' ' THR . 32.2 t-20 -97.66 106.81 19.18 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.225 -177.951 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.84 -165.89 14.05 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.562 -0.827 . . . . 0.0 112.5 179.28 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.481 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.4 mtmp? -76.98 -56.5 4.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.709 0.29 . . . . 0.0 111.053 -179.933 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.63 ' OG1' HG13 ' B' ' 29' ' ' VAL . 7.1 p -108.19 7.86 27.67 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.219 -179.299 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.965 HD13 ' HB ' ' B' ' 18' ' ' THR . 25.7 tp -138.76 137.98 37.21 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.265 0.555 . . . . 0.0 111.532 -179.486 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' H ' HD12 ' A' ' 12' ' ' LEU . 96.9 mttt -145.45 146.29 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.749 179.192 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.542 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.6 -168.69 38.25 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 119.79 -1.195 . . . . 0.0 113.536 -179.854 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -146.54 135.27 22.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.962 0.41 . . . . 0.0 110.451 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.723 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -133.43 168.55 18.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.66 -179.961 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 4' ' ' LYS . 40.1 p -143.21 116.88 9.22 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.734 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.981 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.1 t -103.65 140.33 37.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.599 178.274 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -100.14 108.42 20.55 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.338 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.568 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -143.37 150.23 38.82 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.2 0.524 . . . . 0.0 112.125 -178.959 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -51.08 -36.86 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.218 -178.827 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.542 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -145.94 172.04 13.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.907 0.384 . . . . 0.0 111.446 179.807 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.63 -42.71 83.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.668 -179.365 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.68 -53.08 59.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.649 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.813 ' O ' HG23 ' A' ' 29' ' ' VAL . 76.9 p -53.51 -45.49 69.75 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.517 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.96 -52.89 63.45 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.092 177.986 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.34 -48.79 62.33 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.496 179.178 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -60.42 -43.42 96.75 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.07 0.462 . . . . 0.0 109.869 179.253 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 25' ' ' THR . 69.0 t -56.67 -41.41 74.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.243 178.932 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.613 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 30.6 t -66.4 -48.63 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.517 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 28.4 mtpp -49.29 -49.43 43.73 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.057 0.456 . . . . 0.0 110.069 178.711 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -60.66 -37.23 80.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.525 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.879 ' CG ' HD23 ' B' ' 12' ' ' LEU . 47.0 t80 -54.52 -60.44 3.34 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.053 179.087 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.427 ' CE2' HG12 ' A' ' 30' ' ' VAL . 24.2 m-85 -69.73 -39.78 76.59 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.771 179.167 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.468 ' ND2' HG21 ' B' ' 39' ' ' VAL . 35.8 t-20 -49.44 -39.67 34.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.553 0.692 . . . . 0.0 109.778 178.67 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.71 -22.89 17.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.649 -1.16 . . . . 0.0 112.608 -179.861 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.473 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.9 m-20 -79.14 -46.29 18.27 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.61 -0.436 . . . . 0.0 109.943 179.216 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.62 -117.32 0.0 OUTLIER Glycine 0 CA--C 1.52 0.389 0 CA-C-N 114.774 -1.103 . . . . 0.0 115.431 179.86 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.5 t -110.01 5.03 8.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -176.295 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -125.15 12.97 8.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 118.582 0.628 . . . . 0.0 111.94 -179.812 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.29 174.77 53.58 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.607 -0.806 . . . . 0.0 113.062 -179.714 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -96.17 99.38 11.12 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.387 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.604 ' HH2' HG12 ' B' ' 30' ' ' VAL . 20.8 m95 -91.4 111.86 23.53 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.468 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.4 p -108.32 134.9 50.5 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.188 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.497 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 9.0 t80 -111.41 147.08 35.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.053 0.454 . . . . 0.0 111.626 -178.845 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.462 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.8 t0 -123.23 81.9 1.94 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.6 179.509 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.412 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 54.8 m-20 -47.7 -35.16 9.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.617 -179.632 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.54 -33.7 15.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.979 -178.936 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.9 p -128.2 17.02 6.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.546 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mttm 48.47 35.65 6.2 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.107 0.479 . . . . 0.0 110.404 -179.425 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.808 HG23 ' O ' ' B' ' 4' ' ' LYS . 95.6 m -116.43 140.94 48.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.565 -178.84 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.664 ' HB2' HG13 ' B' ' 5' ' ' VAL . 24.6 m-85 -106.97 130.03 54.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.439 179.417 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 3.0 p -111.23 123.63 50.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.157 0.503 . . . . 0.0 111.593 179.395 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -107.0 106.6 20.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.102 178.697 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.526 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 8.5 m -93.66 109.83 21.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.939 0.399 . . . . 0.0 111.882 -178.267 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.143 179.747 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtm . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 121.089 0.471 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -107.27 147.45 30.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.691 178.894 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' B' ' 17' ' ' THR . 4.1 m-85 -129.42 148.35 51.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.704 0.288 . . . . 0.0 110.996 -179.627 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.808 ' O ' HG23 ' A' ' 51' ' ' THR . 24.4 ttmm -107.9 107.85 18.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.163 179.739 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.664 HG13 ' HB2' ' A' ' 52' ' ' PHE . 60.9 t -94.1 124.01 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.389 0.614 . . . . 0.0 111.559 -179.198 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 53' ' ' THR . 72.3 mt -94.89 120.64 44.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.279 179.352 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mt -98.98 88.58 4.02 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.669 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.526 ' O ' ' HA ' ' A' ' 55' ' ' THR . 32.2 t-20 -97.63 106.86 19.24 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.219 -177.807 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.93 -165.93 14.02 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.499 179.319 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.475 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.3 mtmp? -76.81 -56.69 4.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.868 0.366 . . . . 0.0 111.055 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.635 ' OG1' HG13 ' A' ' 29' ' ' VAL . 7.1 p -108.05 7.74 27.91 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.267 -179.256 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.981 HD13 ' HB ' ' A' ' 18' ' ' THR . 25.5 tp -138.76 138.14 37.35 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.347 0.594 . . . . 0.0 111.462 -179.485 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.458 ' H ' HD12 ' B' ' 12' ' ' LEU . 96.8 mttt -145.46 146.21 31.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.771 179.252 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.542 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.6 -168.66 38.21 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 119.808 -1.187 . . . . 0.0 113.537 -179.878 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -146.55 135.15 22.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.917 0.389 . . . . 0.0 110.505 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.71 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -133.51 168.49 18.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.661 -179.981 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.5 HG22 ' HA ' ' B' ' 4' ' ' LYS . 39.9 p -143.21 117.0 9.29 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.666 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.965 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.1 t -103.7 140.35 37.72 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.512 178.385 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -100.18 108.48 20.6 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.285 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -143.45 150.22 38.7 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.326 0.584 . . . . 0.0 112.138 -178.997 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.98 -36.99 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.153 -178.776 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.543 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -145.89 172.07 13.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.912 0.387 . . . . 0.0 111.42 179.888 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.65 84.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.616 -179.319 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.54 -53.16 58.89 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.542 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.81 ' O ' HG23 ' B' ' 29' ' ' VAL . 76.6 p -53.65 -45.44 70.22 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.612 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.561 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -59.94 -52.81 63.84 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.167 177.932 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.46 -48.75 62.7 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.512 179.129 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -60.41 -43.39 96.75 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.11 0.481 . . . . 0.0 109.882 179.215 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.81 HG23 ' O ' ' B' ' 25' ' ' THR . 69.0 t -56.78 -41.31 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.183 179.03 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.609 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 31.1 t -66.42 -48.67 80.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.51 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 28.3 mtpp -49.15 -49.49 42.08 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.094 0.473 . . . . 0.0 110.121 178.684 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -60.72 -37.11 80.6 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.073 179.593 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.883 ' CG ' HD23 ' A' ' 12' ' ' LEU . 46.5 t80 -54.6 -60.4 3.4 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.054 179.053 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.431 ' CE2' HG12 ' B' ' 30' ' ' VAL . 24.2 m-85 -69.69 -39.84 76.71 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.726 179.157 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.459 ' ND2' HG21 ' A' ' 39' ' ' VAL . 35.8 t-20 -49.43 -39.73 33.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.562 0.696 . . . . 0.0 109.814 178.661 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.68 -22.85 17.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.574 -1.194 . . . . 0.0 112.634 -179.849 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.474 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.9 m-20 -79.08 -46.28 18.4 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.019 0.438 . . . . 0.0 109.976 179.182 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.8 -117.32 0.0 OUTLIER Glycine 0 C--N 1.334 0.429 0 CA-C-N 114.724 -1.125 . . . . 0.0 115.335 179.932 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.647 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.5 t -110.02 5.12 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -176.233 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -125.22 13.1 8.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 118.565 0.62 . . . . 0.0 111.941 -179.886 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.41 174.8 53.48 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.988 -179.657 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -96.2 99.29 11.03 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.487 179.675 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.6 ' HH2' HG12 ' A' ' 30' ' ' VAL . 20.4 m95 -91.28 111.79 23.42 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -178.404 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 72.7 p -108.27 134.85 50.53 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.128 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 9.0 t80 -111.37 147.11 35.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.031 0.443 . . . . 0.0 111.663 -178.877 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.46 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.8 t0 -123.23 81.93 1.94 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.602 179.507 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.412 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 54.5 m-20 -47.73 -35.13 9.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.674 -179.642 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.46 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.68 -33.55 16.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.941 -178.907 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 72.6 p -128.32 17.03 6.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.458 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mttm 48.57 35.55 6.24 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.054 0.454 . . . . 0.0 110.362 -179.557 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.817 HG23 ' O ' ' A' ' 4' ' ' LYS . 95.3 m -116.38 141.0 48.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.648 -178.882 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.66 ' HB2' HG13 ' A' ' 5' ' ' VAL . 24.6 m-85 -106.98 130.05 54.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.326 179.58 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -111.32 123.55 50.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.209 0.528 . . . . 0.0 111.451 179.449 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -106.99 106.68 21.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.039 178.601 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.531 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 8.4 m -93.67 109.89 21.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.071 0.463 . . . . 0.0 111.811 -178.342 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.171 -0.918 . . . . 0.0 111.142 179.65 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.676 0.274 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -125.02 140.41 52.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.068 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.507 ' O ' HG23 ' B' ' 51' ' ' THR . 4.8 ttmp? -105.59 110.33 22.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.067 179.367 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.626 HG21 HG21 ' A' ' 30' ' ' VAL . 59.7 t -94.89 135.27 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-O 121.242 0.544 . . . . 0.0 110.789 -179.824 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.822 HG22 ' OD1' ' A' ' 8' ' ' ASN . 69.2 mt -110.85 130.25 64.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.353 -179.775 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.523 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.6 mt -109.6 102.78 11.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.242 -179.427 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.822 ' OD1' HG22 ' A' ' 6' ' ' ILE . 6.2 m120 -105.36 102.68 12.15 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.048 -178.794 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.19 151.34 17.64 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.539 179.173 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -46.27 -55.91 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.77 0.319 . . . . 0.0 111.705 -179.82 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.607 ' HB ' HG11 ' B' ' 29' ' ' VAL . 3.2 p -98.89 -4.85 32.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.064 -178.848 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.966 HD13 ' HB ' ' B' ' 18' ' ' THR . 18.4 tp -137.17 137.14 38.86 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.359 -179.558 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.515 ' H ' HD12 ' A' ' 12' ' ' LEU . 27.6 mtpp -145.25 145.56 31.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.68 179.599 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.517 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.64 -171.17 42.8 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.095 -1.05 . . . . 0.0 113.589 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -138.08 151.15 47.54 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.57 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.768 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -151.21 168.99 23.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.956 -179.435 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.487 ' O ' HD12 ' B' ' 12' ' ' LEU . 73.2 p -143.67 122.84 12.93 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -179.023 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.967 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.9 t -111.17 144.51 40.21 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.964 178.874 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -104.78 113.67 27.4 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 179.602 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -146.11 151.29 37.46 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.245 0.545 . . . . 0.0 112.02 -179.327 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.3 t -50.94 -26.97 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.971 -179.006 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.481 ' OD1' HG23 ' A' ' 25' ' ' THR . 7.3 p-10 -158.95 174.44 14.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.964 0.411 . . . . 0.0 111.778 179.564 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.65 -42.42 88.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.204 -179.595 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.408 ' O ' ' HD3' ' A' ' 28' ' ' LYS . . . -62.16 -57.73 10.42 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.189 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.91 ' O ' HG23 ' A' ' 29' ' ' VAL . 31.1 p -50.53 -44.85 56.45 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.038 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.742 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.26 -49.86 76.21 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.528 178.246 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 2.8 tp10 -52.14 -48.4 64.9 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.431 179.617 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 10.9 mptt -65.58 -48.97 70.52 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.551 179.46 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 25' ' ' THR . 57.5 t -49.51 -41.36 15.71 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.543 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 26' ' ' ALA . 63.0 t -64.07 -46.38 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.555 177.393 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.62 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 37.3 mmtm -47.55 -52.96 15.87 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-O 121.134 0.493 . . . . 0.0 109.711 178.766 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.452 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 35.8 tp60 -57.59 -39.67 77.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.268 179.658 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.829 ' CD2' HD23 ' B' ' 12' ' ' LEU . 19.1 t80 -51.85 -67.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.007 179.411 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.451 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 26.1 m-85 -63.95 -36.86 85.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.208 179.439 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.452 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 29.4 t-20 -53.72 -38.81 64.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.391 0.615 . . . . 0.0 110.004 178.57 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -92.29 -24.01 19.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.864 -179.599 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 38' ' ' GLY . 79.7 m-20 -82.44 -46.13 13.88 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.013 0.435 . . . . 0.0 110.618 179.724 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -15.44 -110.84 0.0 OUTLIER Glycine 0 CA--C 1.52 0.361 0 N-CA-C 115.921 1.129 . . . . 0.0 115.921 -179.23 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 39' ' ' VAL . 22.7 t -111.15 5.4 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -176.7 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -125.61 6.35 7.53 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.869 -0.519 . . . . 0.0 111.539 179.891 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.58 176.03 51.0 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.234 -179.417 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 2.3 mp0 -117.22 121.15 40.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.751 0.31 . . . . 0.0 110.3 179.532 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.658 ' CG ' HG22 ' A' ' 54' ' ' VAL . 10.6 m0 -120.15 144.55 47.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.051 -179.847 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.5 p -113.73 142.78 45.62 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.159 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.488 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 14.2 t80 -109.21 142.37 40.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.979 0.419 . . . . 0.0 111.871 -178.785 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.433 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.3 t70 -123.48 81.68 1.92 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.301 179.296 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -48.33 -36.27 14.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.612 -179.485 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.433 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.93 -31.06 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.952 -179.274 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.9 p -128.13 13.59 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.77 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 50.98 33.14 8.4 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.763 0.316 . . . . 0.0 110.616 -179.755 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.554 HG21 ' CD1' ' B' ' 6' ' ' ILE . 93.4 m -121.76 141.7 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.272 0.558 . . . . 0.0 111.9 -178.822 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.488 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -111.39 147.17 35.79 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.156 179.67 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -122.26 128.97 51.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.043 0.449 . . . . 0.0 111.323 178.978 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.658 HG22 ' CG ' ' A' ' 43' ' ' TRP . 68.3 t -108.64 112.52 40.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.981 179.325 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.589 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 31.3 m -105.68 119.32 38.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.825 0.345 . . . . 0.0 111.917 -178.821 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.792 179.89 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.469 ' CE ' ' CZ ' ' B' ' 3' ' ' TYR . 4.9 tmm? . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.619 0.247 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -95.85 134.98 38.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.764 0.316 . . . . 0.0 110.428 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.469 ' CZ ' ' CE ' ' B' ' 1' ' ' MET . 93.9 m-85 -125.03 140.48 52.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.997 -179.916 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.507 ' O ' HG23 ' A' ' 51' ' ' THR . 4.8 ttmp? -105.59 110.26 22.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.109 179.36 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.626 HG21 HG21 ' B' ' 30' ' ' VAL . 59.9 t -94.84 135.31 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 121.245 0.545 . . . . 0.0 110.771 -179.804 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.83 HG22 ' OD1' ' B' ' 8' ' ' ASN . 69.2 mt -110.91 130.26 64.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.335 -179.789 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.5 mt -109.65 102.86 11.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.181 -179.431 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.83 ' OD1' HG22 ' B' ' 6' ' ' ILE . 6.2 m120 -105.38 102.73 12.18 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.092 -178.87 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.32 151.21 17.64 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.456 179.312 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -46.11 -55.99 6.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.744 0.307 . . . . 0.0 111.811 -179.923 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.617 ' HB ' HG11 ' A' ' 29' ' ' VAL . 3.2 p -98.71 -4.91 32.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.105 -178.915 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.967 HD13 ' HB ' ' A' ' 18' ' ' THR . 18.3 tp -137.17 137.16 38.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.743 0.306 . . . . 0.0 111.356 -179.446 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.521 ' H ' HD12 ' B' ' 12' ' ' LEU . 27.6 mtpp -145.34 145.48 31.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.631 179.671 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.519 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.71 -171.11 42.68 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.011 -1.09 . . . . 0.0 113.597 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -138.15 151.16 47.47 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.593 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.772 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -151.22 169.06 22.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.033 -179.503 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.484 ' O ' HD12 ' A' ' 12' ' ' LEU . 72.7 p -143.77 122.75 12.79 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.737 0.644 . . . . 0.0 112.737 -178.99 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.966 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.7 t -111.1 144.44 40.22 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.872 178.924 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -104.65 113.67 27.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.47 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -146.23 151.31 37.38 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.253 0.549 . . . . 0.0 111.952 -179.327 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 31.2 t -50.91 -26.94 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.97 -178.929 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.473 ' OD1' HG23 ' B' ' 25' ' ' THR . 7.3 p-10 -158.93 174.41 15.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 111.731 179.635 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.6 -42.44 88.1 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.3 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 24' ' ' ALA . . . . . 0.403 ' O ' ' HD3' ' B' ' 28' ' ' LYS . . . -62.15 -57.79 10.21 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.139 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.908 ' O ' HG23 ' B' ' 29' ' ' VAL . 31.4 p -50.47 -44.84 55.84 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.027 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.742 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.3 -49.79 76.49 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.567 178.274 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 2.8 tp10 -52.2 -48.32 65.13 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.502 179.59 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' B' ' 31' ' ' LYS . 10.9 mptt -65.63 -48.79 71.01 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.615 179.345 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.908 HG23 ' O ' ' B' ' 25' ' ' THR . 57.8 t -49.75 -41.24 16.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.621 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.742 HG23 ' O ' ' B' ' 26' ' ' ALA . 63.4 t -64.11 -46.4 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.394 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.616 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 37.3 mmtm -47.53 -53.02 15.56 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-O 121.154 0.502 . . . . 0.0 109.68 178.796 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.457 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 35.9 tp60 -57.56 -39.6 77.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.324 179.63 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.833 ' CD2' HD23 ' A' ' 12' ' ' LEU . 18.8 t80 -51.97 -67.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.093 179.449 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.451 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 26.0 m-85 -63.93 -36.89 85.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.256 179.33 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.457 ' HB3' ' HA ' ' B' ' 32' ' ' GLN . 29.3 t-20 -53.75 -38.8 64.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.359 0.6 . . . . 0.0 109.963 178.602 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -92.23 -24.07 19.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.855 -179.651 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' B' ' 38' ' ' GLY . 79.7 m-20 -82.56 -45.98 13.94 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.937 0.398 . . . . 0.0 110.626 179.787 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -15.48 -110.79 0.0 OUTLIER Glycine 0 CA--C 1.52 0.402 0 N-CA-C 115.953 1.141 . . . . 0.0 115.953 -179.301 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.643 HG12 ' O ' ' B' ' 39' ' ' VAL . 22.6 t -111.26 5.49 8.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -176.745 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -125.64 6.33 7.51 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.862 -0.523 . . . . 0.0 111.634 179.804 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.53 176.04 51.08 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.562 -0.828 . . . . 0.0 113.216 -179.436 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 2.3 mp0 -117.2 121.1 40.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.675 0.274 . . . . 0.0 110.376 179.538 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.661 ' CG ' HG22 ' B' ' 54' ' ' VAL . 10.5 m0 -119.96 144.46 47.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.153 -179.816 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 68.7 p -113.75 142.7 45.72 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.206 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.49 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 14.2 t80 -109.22 142.32 40.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.984 0.421 . . . . 0.0 111.895 -178.825 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.433 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.3 t70 -123.38 81.62 1.91 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.386 179.206 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -48.23 -36.23 13.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.624 -179.457 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.433 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.03 -31.05 11.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.914 -179.233 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.8 p -128.1 13.55 6.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -179.837 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp 51.11 33.03 8.55 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.751 0.31 . . . . 0.0 110.605 -179.821 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.554 HG21 ' CD1' ' A' ' 6' ' ' ILE . 93.0 m -121.71 141.7 50.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.23 0.538 . . . . 0.0 112.004 -178.876 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.49 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 0.9 OUTLIER -111.43 147.3 35.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.183 179.712 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.0 p -122.26 128.97 51.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.054 0.454 . . . . 0.0 111.28 179.12 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.661 HG22 ' CG ' ' B' ' 43' ' ' TRP . 68.0 t -108.73 112.58 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.912 179.336 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.597 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 32.0 m -105.82 119.28 38.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.361 . . . . 0.0 111.892 -178.804 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.805 179.881 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 . . . . . 0 C--O 1.232 0.146 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -130.79 148.68 52.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.873 0.368 . . . . 0.0 110.762 -179.922 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' B' ' 51' ' ' THR . 5.0 ttpm? -107.41 151.2 25.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.913 179.444 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.741 ' HB ' HG23 ' A' ' 16' ' ' THR . 58.2 t -134.57 121.94 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.416 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.526 ' HB ' HG22 ' B' ' 53' ' ' THR . 76.8 mt -94.74 124.83 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.057 179.497 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.473 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 12.3 mt -105.73 85.96 2.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.445 -179.23 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.612 ' O ' ' HA ' ' B' ' 55' ' ' THR . 71.0 m-20 -94.05 109.75 21.49 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.747 -179.302 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.422 ' HA3' ' HE1' ' B' ' 33' ' ' PHE . . . -116.44 -165.86 14.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.671 179.568 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.464 ' NZ ' ' HB3' ' A' ' 10' ' ' LYS . 0.9 OUTLIER -75.94 -58.0 3.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.11 0.481 . . . . 0.0 110.558 179.957 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.504 ' OG1' HG13 ' B' ' 29' ' ' VAL . 6.6 p -108.79 8.49 26.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.237 -179.329 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.978 HD13 ' HB ' ' B' ' 18' ' ' THR . 23.9 tp -140.08 139.58 35.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.192 0.52 . . . . 0.0 111.489 -179.407 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.495 ' H ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -145.22 147.17 32.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.012 179.391 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.09 -166.14 35.5 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 119.839 -1.172 . . . . 0.0 113.666 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -149.1 152.7 36.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.932 0.396 . . . . 0.0 110.683 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.741 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -151.06 169.48 21.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.633 -179.69 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.464 ' O ' HD12 ' B' ' 12' ' ' LEU . 43.0 p -142.22 119.59 11.58 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -178.49 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.984 ' HB ' HD13 ' B' ' 12' ' ' LEU . 15.0 t -107.79 141.61 39.1 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.571 179.25 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -98.6 110.34 22.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.885 179.29 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.686 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -146.62 147.43 31.06 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 121.255 0.55 . . . . 0.0 111.953 -179.15 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.2 -35.36 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.438 -178.792 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.6 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -148.84 172.75 14.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 0.0 111.391 179.892 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.03 -43.16 86.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.496 -179.452 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.58 -54.32 41.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.694 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.875 ' O ' HG23 ' A' ' 29' ' ' VAL . 71.0 p -53.9 -45.81 71.22 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 178.281 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.686 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.1 -54.16 50.19 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 177.8 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -48.18 -49.28 33.21 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.214 178.811 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -61.1 -45.22 95.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.748 178.964 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 25' ' ' THR . 98.7 t -58.16 -39.52 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.195 179.085 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.615 HG12 ' CH2' ' B' ' 43' ' ' TRP . 99.0 t -68.69 -51.58 44.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.268 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 51.5 mttp -50.48 -41.58 53.34 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.872 0.367 . . . . 0.0 110.05 178.616 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -64.03 -37.11 86.25 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.457 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.912 ' CG ' HD23 ' B' ' 12' ' ' LEU . 51.0 t80 -55.01 -60.38 3.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.215 179.171 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -69.28 -40.38 77.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.796 179.497 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 28.6 t-20 -50.56 -38.3 44.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.499 0.666 . . . . 0.0 109.89 178.54 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.29 -23.32 17.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.431 -179.659 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.466 ' O ' ' C ' ' A' ' 38' ' ' GLY . 21.6 m120 -80.89 -46.74 14.77 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.664 -0.414 . . . . 0.0 109.946 179.178 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.32 -115.58 0.0 OUTLIER Glycine 0 CA--C 1.52 0.374 0 N-CA-C 115.683 1.033 . . . . 0.0 115.683 179.743 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 39' ' ' VAL . 24.7 t -103.85 -0.44 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -175.947 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -125.2 16.7 8.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 119.126 0.875 . . . . 0.0 112.086 -179.626 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.86 167.81 53.05 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.488 -0.863 . . . . 0.0 113.145 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 47.6 mp0 -95.3 99.48 11.42 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.288 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.613 ' CH2' HG12 ' B' ' 30' ' ' VAL . 10.5 m0 -99.45 123.34 43.64 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -177.966 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.1 p -109.94 135.9 50.07 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 177.8 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.511 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 26.3 t80 -104.86 144.57 31.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.068 0.461 . . . . 0.0 111.938 -178.727 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.437 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 63.9 t0 -123.21 81.23 1.86 Allowed 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.649 179.32 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.57 -36.57 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.795 -179.392 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.437 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.97 -33.67 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -178.887 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.7 p -128.32 15.74 6.64 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.659 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm 52.39 31.97 10.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.946 0.403 . . . . 0.0 110.293 -179.695 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 97.6 m -105.94 151.65 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.171 -179.385 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.561 ' O ' HG13 ' B' ' 5' ' ' VAL . 22.8 m-85 -124.61 95.77 4.65 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.108 0.48 . . . . 0.0 111.51 179.602 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.526 HG22 ' HB ' ' B' ' 6' ' ' ILE . 2.5 p -75.22 124.91 27.9 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.787 179.715 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.6 t -108.28 98.59 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.277 178.81 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 3.5 m -91.89 116.54 29.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.499 -178.677 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.783 179.88 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.415 ' O ' ' OE2' ' B' ' 19' ' ' GLU . 49.5 ttp . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.773 0.32 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -102.61 144.34 31.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.252 179.276 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.413 ' CZ ' ' HE3' ' B' ' 1' ' ' MET . 3.0 m-85 -130.78 148.72 52.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.97 0.414 . . . . 0.0 110.78 -179.933 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 51' ' ' THR . 5.0 ttpm? -107.48 151.28 25.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.911 179.473 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.731 ' HB ' HG23 ' B' ' 16' ' ' THR . 58.0 t -134.7 121.83 36.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.275 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.526 ' HB ' HG22 ' A' ' 53' ' ' THR . 76.7 mt -94.65 124.78 47.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.14 179.497 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 12.3 mt -105.77 85.9 2.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.435 -179.172 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.614 ' O ' ' HA ' ' A' ' 55' ' ' THR . 70.7 m-20 -94.04 109.76 21.49 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.842 -179.357 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.422 ' HA3' ' HE1' ' A' ' 33' ' ' PHE . . . -116.45 -165.91 14.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.597 179.673 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.466 ' NZ ' ' HB3' ' B' ' 10' ' ' LYS . 0.9 OUTLIER -75.92 -58.03 3.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.022 0.439 . . . . 0.0 110.536 179.96 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.503 ' OG1' HG13 ' A' ' 29' ' ' VAL . 6.5 p -108.71 8.59 26.94 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.291 -179.333 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.984 HD13 ' HB ' ' A' ' 18' ' ' THR . 23.8 tp -140.21 139.43 35.64 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.149 0.5 . . . . 0.0 111.512 -179.315 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.492 ' H ' HD12 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -145.13 147.21 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.993 179.409 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.505 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.01 -166.21 35.66 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 119.825 -1.179 . . . . 0.0 113.658 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -149.05 152.77 36.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.878 0.37 . . . . 0.0 110.715 -179.915 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.731 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.1 OUTLIER -151.14 169.36 22.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.702 -179.624 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.453 ' O ' HD12 ' A' ' 12' ' ' LEU . 42.3 p -142.17 119.6 11.62 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.426 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.978 ' HB ' HD13 ' A' ' 12' ' ' LEU . 14.9 t -107.75 141.61 39.03 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.599 179.22 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 19' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' B' ' 1' ' ' MET . 17.9 tp10 -98.58 110.19 22.83 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.304 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.68 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -146.53 147.55 31.26 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.173 0.511 . . . . 0.0 112.036 -179.281 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.23 -35.48 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.312 -178.733 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.6 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -148.87 172.72 14.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.867 0.365 . . . . 0.0 111.394 179.892 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.22 86.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.526 -179.417 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.48 -54.21 43.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.604 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.88 ' O ' HG23 ' B' ' 29' ' ' VAL . 70.9 p -54.01 -45.75 71.61 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.309 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.68 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -59.23 -54.11 50.65 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 177.896 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -48.21 -49.18 33.92 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.24 178.817 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -61.14 -45.34 95.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.743 178.97 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.88 HG23 ' O ' ' B' ' 25' ' ' THR . 97.2 t -58.03 -39.54 72.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.141 179.082 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.613 HG12 ' CH2' ' A' ' 43' ' ' TRP . 98.9 t -68.77 -51.64 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.403 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 51.5 mttp -50.37 -41.57 52.02 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 120.915 0.388 . . . . 0.0 110.105 178.612 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -63.97 -37.29 86.86 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.436 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.901 ' CG ' HD23 ' A' ' 12' ' ' LEU . 50.9 t80 -54.83 -60.43 3.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.276 179.109 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -69.32 -40.21 77.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.822 179.506 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' B' ' 31' ' ' LYS . 28.6 t-20 -50.85 -38.21 47.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.477 0.656 . . . . 0.0 109.885 178.515 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.24 -23.27 17.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.878 -1.055 . . . . 0.0 112.444 -179.767 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.469 ' O ' ' C ' ' B' ' 38' ' ' GLY . 21.5 m120 -80.93 -46.56 14.99 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.022 179.179 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.57 -115.65 0.0 OUTLIER Glycine 0 CA--C 1.52 0.39 0 N-CA-C 115.627 1.011 . . . . 0.0 115.627 179.751 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.616 HG12 ' O ' ' B' ' 39' ' ' VAL . 24.0 t -103.66 -0.39 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -175.952 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -125.3 16.96 8.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 119.061 0.846 . . . . 0.0 112.06 -179.722 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.82 167.79 53.07 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.099 -179.66 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.46 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 48.0 mp0 -95.29 99.64 11.55 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.22 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.615 ' CH2' HG12 ' A' ' 30' ' ' VAL . 10.5 m0 -99.73 123.27 43.83 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -177.951 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.7 p -109.86 135.8 50.17 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.888 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 26.1 t80 -104.92 144.66 31.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.999 0.428 . . . . 0.0 111.988 -178.805 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.429 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.1 t0 -123.26 81.28 1.87 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.634 179.432 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.63 -36.63 7.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.844 -179.366 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.429 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.8 -33.79 17.62 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.929 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.3 p -128.25 15.63 6.68 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.613 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 52.34 31.98 10.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.894 0.378 . . . . 0.0 110.36 -179.591 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 97.2 m -105.68 151.68 24.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.307 -179.498 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.558 ' O ' HG13 ' A' ' 5' ' ' VAL . 22.9 m-85 -124.72 95.78 4.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.158 0.504 . . . . 0.0 111.45 179.569 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.526 HG22 ' HB ' ' A' ' 6' ' ' ILE . 2.6 p -75.28 124.96 28.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.798 179.635 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.9 t -108.3 98.67 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.279 178.739 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.612 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 3.6 m -92.02 116.45 28.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.592 -178.739 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.874 179.935 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 . . . . . 0 N--CA 1.458 -0.037 0 CA-C-O 120.869 0.366 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.456 ' CE2' ' HE3' ' B' ' 50' ' ' LYS . 12.9 m-85 -121.37 148.83 43.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.744 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.594 ' O ' HG23 ' B' ' 51' ' ' THR . 62.8 tttp -108.29 104.88 14.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.111 179.782 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.61 HG21 HG21 ' A' ' 30' ' ' VAL . 64.2 t -94.4 120.33 43.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.442 0.639 . . . . 0.0 111.36 -179.381 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.406 ' CD1' HG21 ' B' ' 51' ' ' THR . 68.7 mt -96.03 125.67 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.868 179.838 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.49 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 19.2 mt -104.82 93.52 4.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.5 179.606 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.7 t-20 -100.35 109.45 21.64 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.792 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.437 ' CA ' ' HB3' ' B' ' 56' ' ' GLU . . . -118.47 -166.29 13.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.606 179.217 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.57 ' HG2' ' HG2' ' B' ' 56' ' ' GLU . 4.9 mmmp? -80.33 -57.27 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 0.0 111.025 179.918 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.449 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 8.2 p -103.76 3.87 34.57 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.274 -179.482 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.968 HD13 ' HB ' ' B' ' 18' ' ' THR . 22.8 tp -137.76 138.47 39.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.316 0.579 . . . . 0.0 111.619 -179.461 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.524 ' H ' HD12 ' A' ' 12' ' ' LEU . 51.1 mtmt -145.18 143.68 30.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.824 179.449 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.487 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.53 -174.64 42.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 119.845 -1.169 . . . . 0.0 113.577 -179.94 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -140.97 135.91 31.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.8 0.334 . . . . 0.0 110.176 179.696 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.781 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -135.67 167.21 21.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.991 -179.818 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.573 HG22 ' HA ' ' A' ' 4' ' ' LYS . 51.2 p -143.35 119.08 10.48 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -178.588 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.976 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.0 t -107.59 144.45 34.61 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.89 178.617 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -102.75 114.08 28.03 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.437 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.538 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -148.2 152.39 37.14 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.305 0.574 . . . . 0.0 112.287 -179.212 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.3 t -51.11 -35.57 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.329 -178.899 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.511 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -148.41 172.13 14.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.37 . . . . 0.0 111.453 179.832 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.33 -42.71 87.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.375 -179.467 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.3 -55.63 26.31 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.452 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.878 ' O ' HG23 ' A' ' 29' ' ' VAL . 35.1 p -51.73 -44.66 63.32 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.362 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.882 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.49 -51.24 70.3 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.058 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 89.3 tt0 -51.37 -50.18 60.05 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.755 179.359 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -64.28 -45.16 89.27 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.547 179.384 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 25' ' ' THR . 98.6 t -55.07 -40.86 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.657 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 26' ' ' ALA . 22.0 t -65.63 -47.13 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.295 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.473 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 9.4 mtpm? -47.51 -49.6 25.54 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.368 0.604 . . . . 0.0 109.724 178.509 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.401 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 24.8 tt0 -58.61 -37.15 75.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.461 179.933 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.895 ' CG ' HD23 ' B' ' 12' ' ' LEU . 47.0 t80 -53.8 -64.82 0.7 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.874 178.863 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.462 ' CE2' HG12 ' A' ' 30' ' ' VAL . 28.5 m-85 -65.57 -39.14 91.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.347 179.22 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.493 ' ND2' HG21 ' B' ' 39' ' ' VAL . 34.8 t-20 -50.61 -38.82 47.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.487 0.66 . . . . 0.0 109.774 178.42 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -94.52 -22.29 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.195 -179.807 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.487 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.5 m-20 -83.32 -46.6 12.42 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.675 179.826 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -10.71 -112.19 0.0 OUTLIER Glycine 0 CA--C 1.522 0.495 0 N-CA-C 115.678 1.031 . . . . 0.0 115.678 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.5 t -111.3 5.32 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -176.419 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -122.62 10.76 9.75 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.74 -0.6 . . . . 0.0 111.987 -179.626 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.18 179.31 50.83 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.895 -179.826 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 49.0 mp0 -103.95 103.91 13.81 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.596 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.561 ' HH2' HG12 ' B' ' 30' ' ' VAL . 12.9 m95 -94.74 118.69 32.15 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.638 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.7 p -111.47 138.09 48.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.578 178.424 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.532 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 9.6 t80 -110.54 145.91 36.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 111.655 -178.889 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.551 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.3 t70 -123.15 81.85 1.93 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.632 179.61 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.417 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 52.1 m-20 -45.86 -35.71 4.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.808 -179.523 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.551 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.71 -35.86 23.4 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.908 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.2 p -128.23 15.74 6.69 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.759 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HE3' ' CE2' ' B' ' 3' ' ' TYR . 31.3 mmmt 51.87 32.06 9.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.017 0.436 . . . . 0.0 110.048 -179.57 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.604 HG23 ' O ' ' B' ' 4' ' ' LYS . 85.2 m -110.96 149.97 29.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.664 -178.766 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.532 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 31.1 m-85 -119.32 134.05 55.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.996 179.096 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -111.14 93.17 4.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.184 0.516 . . . . 0.0 111.757 179.326 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.4 t -82.6 118.46 30.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.151 178.867 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.463 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 11.0 m -85.09 160.32 20.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.265 0.555 . . . . 0.0 111.796 -178.2 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.564 ' HG2' ' HG2' ' B' ' 10' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.228 179.554 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.726 0.298 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -104.6 138.07 41.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.957 0.408 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.454 ' CE2' ' HE3' ' A' ' 50' ' ' LYS . 13.3 m-85 -121.39 148.83 43.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 179.732 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.604 ' O ' HG23 ' A' ' 51' ' ' THR . 62.8 tttp -108.2 104.81 14.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.306 179.631 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.62 HG21 HG21 ' B' ' 30' ' ' VAL . 63.5 t -94.42 120.38 43.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.445 0.64 . . . . 0.0 111.406 -179.299 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.408 ' CD1' HG21 ' A' ' 51' ' ' THR . 68.9 mt -96.04 125.68 48.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.874 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 19.0 mt -104.77 93.56 4.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.462 179.619 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.7 t-20 -100.53 109.49 21.6 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -177.779 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.443 ' CA ' ' HB3' ' A' ' 56' ' ' GLU . . . -118.42 -166.36 13.64 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.606 179.25 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.564 ' HG2' ' HG2' ' A' ' 56' ' ' GLU . 4.9 mmmp? -80.38 -57.36 3.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.449 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 8.3 p -103.72 3.91 34.74 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.335 -179.429 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.976 HD13 ' HB ' ' A' ' 18' ' ' THR . 22.9 tp -137.67 138.44 39.41 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.197 0.522 . . . . 0.0 111.672 -179.468 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.52 ' H ' HD12 ' B' ' 12' ' ' LEU . 51.1 mtmt -145.21 143.74 30.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.849 179.345 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.55 -174.72 42.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 119.814 -1.184 . . . . 0.0 113.486 -179.824 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -140.96 136.05 31.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.915 0.388 . . . . 0.0 110.136 179.636 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.775 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -135.7 167.24 21.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.946 -179.764 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.573 HG22 ' HA ' ' B' ' 4' ' ' LYS . 50.7 p -143.46 119.02 10.37 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -178.629 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.968 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.1 t -107.57 144.43 34.6 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.924 178.607 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -102.71 113.91 27.71 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.488 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.53 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -148.09 152.36 37.22 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.235 0.541 . . . . 0.0 112.416 -179.239 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.2 t -51.18 -35.53 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.258 -178.872 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.503 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -148.42 172.14 14.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.899 0.38 . . . . 0.0 111.404 179.891 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.2 -42.88 87.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.394 -179.562 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.18 -55.61 26.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.48 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.875 ' O ' HG23 ' B' ' 29' ' ' VAL . 35.5 p -51.76 -44.67 63.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.363 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.869 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.41 -51.31 70.02 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.04 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' B' ' 31' ' ' LYS . 89.2 tt0 -51.28 -50.21 59.73 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.879 179.288 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -64.32 -45.07 89.51 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.549 179.366 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.875 HG23 ' O ' ' B' ' 25' ' ' THR . 98.7 t -55.04 -40.93 56.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.574 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.869 HG23 ' O ' ' B' ' 26' ' ' ALA . 21.9 t -65.52 -47.17 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.211 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.473 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 9.4 mtpm? -47.46 -49.62 25.04 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.43 0.633 . . . . 0.0 109.836 178.486 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -58.52 -37.25 75.23 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.392 179.895 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.896 ' CG ' HD23 ' A' ' 12' ' ' LEU . 47.0 t80 -53.75 -64.81 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.921 178.885 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.466 ' CE2' HG12 ' B' ' 30' ' ' VAL . 28.6 m-85 -65.48 -39.28 91.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.376 179.132 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.488 ' ND2' HG21 ' A' ' 39' ' ' VAL . 34.8 t-20 -50.5 -39.02 47.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.519 0.676 . . . . 0.0 109.762 178.44 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -94.35 -22.46 18.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.794 -1.094 . . . . 0.0 112.21 -179.781 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.487 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.5 m-20 -83.22 -46.69 12.39 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.594 179.895 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -10.77 -112.22 0.0 OUTLIER Glycine 0 CA--C 1.521 0.456 0 N-CA-C 115.689 1.036 . . . . 0.0 115.689 -179.844 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.4 t -111.2 5.31 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -176.416 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -122.54 10.74 9.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.685 -0.634 . . . . 0.0 111.944 -179.622 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.25 179.36 50.75 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.847 -179.734 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 48.8 mp0 -103.99 103.92 13.81 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.61 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.574 ' HH2' HG12 ' A' ' 30' ' ' VAL . 13.1 m95 -94.81 118.65 32.1 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -178.6 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 56.4 p -111.48 138.09 48.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.537 178.393 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.532 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 9.7 t80 -110.55 145.88 37.02 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.859 0.362 . . . . 0.0 111.685 -178.889 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.549 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.3 t70 -123.09 81.98 1.94 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.595 179.628 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.42 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 52.1 m-20 -45.94 -35.77 4.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.73 -179.555 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.549 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.71 -35.81 23.2 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.844 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.2 p -128.33 15.87 6.63 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.744 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.456 ' HE3' ' CE2' ' A' ' 3' ' ' TYR . 31.3 mmmt 51.83 32.05 9.16 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.0 0.429 . . . . 0.0 110.096 -179.596 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 4' ' ' LYS . 85.1 m -111.06 150.0 29.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.542 -178.66 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.532 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 31.0 m-85 -119.36 134.09 55.39 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.96 179.11 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -111.22 93.24 4.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.328 0.585 . . . . 0.0 111.758 179.294 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 49.7 t -82.62 118.43 30.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.169 178.827 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.462 ' O ' ' OD1' ' B' ' 37' ' ' ASN . 10.9 m -85.07 160.35 20.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.229 0.537 . . . . 0.0 111.818 -178.179 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.57 ' HG2' ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.305 179.534 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.703 0.287 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -126.81 143.96 51.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.789 ' O ' HG23 ' B' ' 51' ' ' THR . 40.1 ttmt -105.43 110.13 22.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.699 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.5 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.2 t -95.21 126.73 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.36 0.6 . . . . 0.0 110.766 179.878 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.0 mt -101.75 127.1 55.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.602 -179.921 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.501 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.4 mt -106.59 84.96 2.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.37 -179.32 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.558 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.9 m120 -90.66 102.7 15.45 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.122 0.487 . . . . 0.0 112.248 -179.122 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.74 151.95 17.26 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.516 179.248 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -46.02 -58.17 3.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.825 0.345 . . . . 0.0 111.69 179.784 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.442 ' HB ' HG11 ' B' ' 29' ' ' VAL . 4.2 p -98.17 -5.88 32.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.926 -178.945 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.944 HD13 ' HB ' ' B' ' 18' ' ' THR . 14.3 tp -134.53 135.46 42.37 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.055 -179.691 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.512 ' H ' HD12 ' A' ' 12' ' ' LEU . 60.2 mttp -145.14 144.74 31.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.64 179.943 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.503 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.93 -168.63 39.04 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.16 -1.019 . . . . 0.0 113.416 179.78 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -143.47 141.87 30.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.836 0.351 . . . . 0.0 110.462 179.842 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.715 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -142.66 169.19 18.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.129 -179.422 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.55 HG22 ' HA ' ' A' ' 4' ' ' LYS . 70.7 p -143.64 121.55 12.02 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -178.964 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.944 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.9 t -106.07 142.6 35.5 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.892 178.704 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -102.49 114.45 28.66 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 179.648 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.621 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.04 151.06 33.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.229 0.538 . . . . 0.0 112.172 -179.402 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -51.12 -36.73 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.261 -178.732 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.62 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -145.61 171.32 14.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.833 0.349 . . . . 0.0 111.329 179.784 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.31 -42.74 82.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.545 -179.336 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.81 -54.4 39.46 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.587 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.894 ' O ' HG23 ' A' ' 29' ' ' VAL . 76.0 p -52.74 -46.02 67.26 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.426 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.621 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.85 -53.28 59.76 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.04 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 88.9 tt0 -50.62 -48.88 57.85 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.497 178.851 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -58.79 -41.19 86.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 179.493 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 25' ' ' THR . 58.4 t -56.44 -39.96 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.406 179.611 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.592 HG12 ' CH2' ' B' ' 43' ' ' TRP . 57.9 t -62.9 -47.35 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.608 178.795 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' CE ' ' CZ3' ' B' ' 43' ' ' TRP . 1.2 mptm? -50.97 -47.5 61.31 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.464 179.108 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.417 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -64.6 -39.77 94.32 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.846 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.797 ' CD2' HD23 ' B' ' 12' ' ' LEU . 29.6 t80 -53.91 -58.8 5.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.433 179.413 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.483 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 24.3 m-85 -70.23 -38.28 75.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.802 179.604 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.606 HD22 HG21 ' B' ' 39' ' ' VAL . 11.7 t-20 -51.68 -38.59 55.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.353 0.597 . . . . 0.0 110.164 178.409 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -94.01 -24.54 17.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.424 -179.333 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 38' ' ' GLY . 88.2 m-20 -79.28 -46.28 18.08 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.102 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.45 ' HA2' ' CB ' ' B' ' 34' ' ' PHE . . . -7.52 -118.88 0.0 OUTLIER Glycine 0 C--N 1.334 0.439 0 CA-C-N 114.595 -1.184 . . . . 0.0 115.815 179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.664 HG12 ' O ' ' A' ' 39' ' ' VAL . 40.7 t -111.89 4.99 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -176.984 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -125.29 9.23 7.91 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 121.977 -0.452 . . . . 0.0 111.559 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.33 179.14 51.72 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.853 -179.705 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -114.74 117.92 32.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.926 0.393 . . . . 0.0 110.819 179.785 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.614 ' CG ' HG22 ' A' ' 54' ' ' VAL . 12.0 m0 -121.53 146.38 47.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.799 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -115.33 142.59 46.48 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.3 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 9.7 t80 -109.51 144.74 37.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 111.589 -178.936 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.432 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.8 t0 -123.3 82.93 2.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.698 179.607 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.412 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 54.0 m-20 -45.6 -37.91 6.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.644 -179.642 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.432 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.09 -32.13 14.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.009 -179.134 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.8 p -128.09 13.18 6.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.592 -179.794 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' CB ' ' NZ ' ' A' ' 50' ' ' LYS . 3.1 mtmp? 47.94 37.88 8.27 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.924 0.392 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.79 HG23 ' O ' ' B' ' 4' ' ' LYS . 94.6 m -121.69 140.71 51.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.404 -179.382 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.509 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.5 m-85 -108.34 145.73 34.03 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.874 179.549 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -122.37 129.81 52.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.241 0.543 . . . . 0.0 111.201 179.316 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.614 HG22 ' CG ' ' A' ' 43' ' ' TRP . 90.4 t -107.95 110.2 31.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.318 179.736 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.557 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 18.0 m -102.65 115.57 30.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.928 0.394 . . . . 0.0 111.381 -179.249 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.713 179.926 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.4 mmm . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.919 0.39 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -99.76 132.65 44.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.445 179.502 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -126.79 143.93 51.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 4' ' ' LYS . . . . . 0.79 ' O ' HG23 ' A' ' 51' ' ' THR . 40.1 ttmt -105.31 110.28 22.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.637 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.503 HG21 HG21 ' B' ' 30' ' ' VAL . 61.5 t -95.28 126.79 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.34 0.591 . . . . 0.0 110.738 179.789 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 68.7 mt -101.91 127.14 55.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.616 -179.935 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.3 mt -106.51 84.91 2.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.343 -179.246 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 8' ' ' ASN . . . . . 0.557 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.8 m120 -90.68 102.69 15.44 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.158 -179.129 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 9' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.61 151.87 17.33 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.542 179.147 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -45.95 -58.1 3.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.894 0.378 . . . . 0.0 111.808 179.688 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 11' ' ' THR . . . . . 0.443 ' HB ' HG11 ' A' ' 29' ' ' VAL . 4.3 p -98.22 -5.86 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.983 -179.047 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 12' ' ' LEU . . . . . 0.944 HD13 ' HB ' ' A' ' 18' ' ' THR . 14.2 tp -134.55 135.45 42.31 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.965 -179.647 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 13' ' ' LYS . . . . . 0.513 ' H ' HD12 ' B' ' 12' ' ' LEU . 60.3 mttp -145.2 144.94 31.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.689 179.82 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 14' ' ' GLY . . . . . 0.505 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.82 -168.68 39.18 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.099 -1.048 . . . . 0.0 113.353 179.876 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -143.31 141.85 31.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.504 179.852 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 16' ' ' THR . . . . . 0.717 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -142.61 169.07 18.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 -179.469 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' B' B ' 17' ' ' THR . . . . . 0.551 HG22 ' HA ' ' B' ' 4' ' ' LYS . 70.6 p -143.57 121.63 12.12 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.072 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 18' ' ' THR . . . . . 0.944 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.8 t -106.09 142.62 35.47 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.825 178.743 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -102.39 114.33 28.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 179.585 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 20' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -149.06 151.05 33.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.283 0.563 . . . . 0.0 112.119 -179.403 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -51.0 -36.85 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.296 -178.723 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.623 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -145.48 171.38 14.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.368 . . . . 0.0 111.282 179.77 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.67 82.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.603 -179.405 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.76 -54.44 39.1 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.464 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 25' ' ' THR . . . . . 0.896 ' O ' HG23 ' B' ' 29' ' ' VAL . 75.4 p -52.77 -45.94 67.34 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.371 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 26' ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -59.79 -53.39 58.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.126 177.9 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 27' ' ' GLU . . . . . 0.439 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 88.9 tt0 -50.63 -48.9 57.91 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.535 178.893 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -58.72 -41.19 85.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.56 179.455 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.896 HG23 ' O ' ' B' ' 25' ' ' THR . 58.1 t -56.45 -39.97 64.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.444 179.605 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.594 HG12 ' CH2' ' A' ' 43' ' ' TRP . 57.8 t -62.83 -47.5 92.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.573 178.72 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.456 ' CE ' ' CZ3' ' A' ' 43' ' ' TRP . 1.2 mptm? -50.85 -47.51 60.26 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.029 0.443 . . . . 0.0 110.556 179.139 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.42 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -64.71 -39.67 94.04 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.828 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' B' B ' 33' ' ' PHE . . . . . 0.803 ' CD2' HD23 ' A' ' 12' ' ' LEU . 29.7 t80 -53.97 -58.79 5.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.401 179.407 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 34' ' ' PHE . . . . . 0.483 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 24.3 m-85 -70.13 -38.36 75.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.862 179.533 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.607 HD22 HG21 ' A' ' 39' ' ' VAL . 11.7 t-20 -51.72 -38.59 55.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.239 0.542 . . . . 0.0 110.083 178.494 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -94.0 -24.54 17.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.463 -179.375 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' B' ' 38' ' ' GLY . 88.2 m-20 -79.14 -46.37 18.12 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.04 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.453 ' HA2' ' CB ' ' A' ' 34' ' ' PHE . . . -7.59 -118.89 0.0 OUTLIER Glycine 0 C--N 1.334 0.418 0 CA-C-N 114.553 -1.203 . . . . 0.0 115.727 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.66 HG12 ' O ' ' B' ' 39' ' ' VAL . 40.7 t -111.86 5.07 8.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -176.936 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -125.32 9.1 7.88 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 122.024 -0.422 . . . . 0.0 111.634 179.934 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.27 179.24 51.78 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.867 -179.649 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -114.82 117.85 31.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.829 0.347 . . . . 0.0 110.782 179.847 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.611 ' CG ' HG22 ' B' ' 54' ' ' VAL . 12.0 m0 -121.58 146.41 46.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.3 p -115.23 142.62 46.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.386 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 45' ' ' TYR . . . . . 0.506 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 9.8 t80 -109.63 144.75 37.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.934 0.397 . . . . 0.0 111.524 -178.939 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.426 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.7 t0 -123.28 82.87 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.598 179.726 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 47' ' ' ASP . . . . . 0.413 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 53.9 m-20 -45.6 -37.85 5.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.745 -179.685 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 48' ' ' ALA . . . . . 0.426 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.0 -32.26 14.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.954 -179.226 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 70.0 p -128.1 13.19 6.71 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.8 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 50' ' ' LYS . . . . . 0.405 ' HB3' ' HZ3' ' B' ' 50' ' ' LYS . 3.1 mtmp? 47.9 37.9 8.2 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.927 0.394 . . . . 0.0 110.941 -179.823 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 51' ' ' THR . . . . . 0.789 HG23 ' O ' ' A' ' 4' ' ' LYS . 94.8 m -121.68 140.76 51.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.33 -179.371 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.506 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.5 m-85 -108.31 145.62 34.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.879 179.507 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -122.25 129.84 52.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.121 0.486 . . . . 0.0 111.253 179.225 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.611 HG22 ' CG ' ' B' ' 43' ' ' TRP . 93.0 t -107.91 110.32 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.247 179.716 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.558 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 17.8 m -102.68 115.55 30.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.885 0.374 . . . . 0.0 111.452 -179.356 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.721 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.42 ' HG2' ' N ' ' A' ' 2' ' ' GLN . 27.8 ttt . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.806 0.336 . . . . 1.67 111.052 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.42 ' N ' ' HG2' ' A' ' 1' ' ' MET . 54.3 tt0 -105.05 140.26 38.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 1.79 110.366 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -126.6 145.79 50.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.43 110.985 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.798 ' O ' HG23 ' B' ' 51' ' ' THR . 62.3 tttp -102.1 108.24 19.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.0 -0.546 . . . . 2.35 110.25 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.707 ' HB ' HG23 ' A' ' 16' ' ' THR . 49.9 t -95.65 131.95 41.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.017 0.437 . . . . 0.31 111.126 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.411 HG13 ' CG2' ' B' ' 51' ' ' THR . 73.6 mt -107.73 118.6 55.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.928 -0.578 . . . . 0.35 110.759 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.482 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 15.5 mt -96.93 82.29 3.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.964 -0.562 . . . . 0.33 109.491 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.642 ' O ' ' HA ' ' B' ' 55' ' ' THR . 34.4 t-20 -94.17 109.56 21.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.46 -0.791 . . . . 2.09 112.379 -178.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.03 -167.04 13.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.57 111.738 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -86.69 -58.12 2.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.045 0.45 . . . . 2.94 110.038 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.478 ' HB ' HG11 ' B' ' 29' ' ' VAL . 7.5 p -94.57 -5.33 46.11 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.735 -0.666 . . . . 0.23 110.688 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.991 HD13 ' HB ' ' B' ' 18' ' ' THR . 22.8 tp -135.68 136.35 40.83 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.119 0.485 . . . . 0.14 111.506 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.469 ' H ' HD12 ' A' ' 12' ' ' LEU . 36.6 mtmm -145.36 145.11 31.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.589 -0.732 . . . . 2.46 110.406 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.477 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -176.9 -172.35 41.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.213 -0.994 . . . . 0.15 113.383 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -142.01 138.65 32.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 1.92 110.442 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.785 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -139.79 168.88 18.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.18 111.258 -179.323 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.511 HG22 ' HA ' ' A' ' 4' ' ' LYS . 60.1 p -143.61 120.02 10.96 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.847 0.684 . . . . 0.16 112.847 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.996 ' HB ' HD13 ' B' ' 12' ' ' LEU . 15.3 t -108.94 147.18 32.63 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.856 -0.611 . . . . 0.15 109.44 178.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -108.73 119.17 38.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.516 0.198 . . . . 2.06 110.686 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.689 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -148.98 149.65 31.52 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.244 0.545 . . . . 0.26 111.87 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 t -50.4 -24.9 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.358 -0.837 . . . . 0.35 111.993 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.559 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -156.76 174.57 15.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.893 0.378 . . . . 1.3 111.42 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.48 91.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.31 111.381 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 -54.97 31.03 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.942 -0.392 . . . . 0.35 109.942 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.867 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.7 p -50.34 -46.3 55.56 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.901 -0.778 . . . . 0.35 108.901 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.758 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -58.41 -53.54 57.15 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.702 -0.681 . . . . 0.26 109.204 178.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -51.98 -45.13 64.34 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 115.911 -0.586 . . . . 1.96 110.446 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -66.01 -49.45 67.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.865 -0.607 . . . . 1.98 110.301 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 25' ' ' THR . 81.9 t -54.01 -41.89 52.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.471 . . . . 0.4 109.913 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 26' ' ' ALA . 57.3 t -63.16 -47.49 92.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.657 -0.702 . . . . 0.36 109.425 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -51.19 -43.17 61.3 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 116.323 -0.399 . . . . 2.12 110.493 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -61.14 -38.51 86.68 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.27 -0.641 . . . . 2.1 109.27 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.858 ' CG ' HD23 ' B' ' 12' ' ' LEU . 37.8 t80 -54.12 -60.84 2.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.248 -0.887 . . . . 0.24 110.195 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -69.06 -40.44 78.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.137 -0.938 . . . . 0.2 110.563 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -51.47 -38.23 52.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.543 0.687 . . . . 0.45 109.83 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.36 -23.91 17.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.8 -1.091 . . . . 1.18 112.453 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.456 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.9 m-20 -80.38 -46.63 15.71 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.418 -0.586 . . . . 0.2 109.418 178.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.66 -118.62 0.0 OUTLIER Glycine 0 C--N 1.333 0.366 0 CA-C-N 114.574 -1.193 . . . . 0.22 115.793 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.9 t -103.25 -2.06 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 114.911 1.449 . . . . 0.86 114.911 -175.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -126.01 17.0 7.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 119.313 0.96 . . . . 1.57 111.692 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.17 167.0 54.08 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.618 -0.801 . . . . 0.49 113.196 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -95.28 99.78 11.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.908 0.385 . . . . 2.19 110.397 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.488 ' CH2' HG12 ' B' ' 30' ' ' VAL . 7.6 m0 -99.25 120.72 40.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.65 112.24 -178.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.2 p -104.8 138.34 41.22 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.272 -0.64 . . . . 0.39 109.272 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -111.04 141.6 44.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.014 0.435 . . . . 0.47 112.036 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.46 81.99 1.96 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.687 -0.688 . . . . 1.24 110.327 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.89 -37.08 13.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 1.17 111.806 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.57 -30.58 8.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.446 -0.343 . . . . 0.56 111.908 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.1 p -128.09 14.21 6.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.717 -0.22 . . . . 0.63 111.508 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm 48.48 35.21 5.6 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.847 0.356 . . . . 2.35 110.375 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.791 HG23 ' O ' ' B' ' 4' ' ' LYS . 98.7 m -122.19 143.26 49.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.146 0.498 . . . . 0.36 112.023 -178.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.7 m-85 -108.77 142.45 39.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.442 -0.799 . . . . 0.55 109.654 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -120.84 101.99 8.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.259 0.552 . . . . 0.37 112.196 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.4 HG12 ' OD1' ' A' ' 37' ' ' ASN . 58.0 t -81.98 109.32 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.326 -0.852 . . . . 0.4 109.219 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.641 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 22.6 m -103.55 117.33 34.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.64 112.12 -178.243 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.279 -0.867 . . . . 2.34 110.931 179.654 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.422 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 27.8 ttt . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.835 0.35 . . . . 1.68 111.167 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.422 ' N ' ' HG2' ' B' ' 1' ' ' MET . 54.3 tt0 -104.98 140.24 38.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 1.79 110.365 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.401 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 6.5 m-85 -126.54 145.73 50.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.915 0.388 . . . . 0.43 110.98 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.791 ' O ' HG23 ' A' ' 51' ' ' THR . 62.3 tttp -102.01 108.16 19.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.016 -0.538 . . . . 2.35 110.319 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.704 ' HB ' HG23 ' B' ' 16' ' ' THR . 49.4 t -95.59 131.86 41.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.986 0.422 . . . . 0.31 111.157 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.415 HG13 ' CG2' ' A' ' 51' ' ' THR . 73.8 mt -107.68 118.57 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.35 110.859 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 15.5 mt -96.85 82.24 3.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.936 -0.575 . . . . 0.33 109.52 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.641 ' O ' ' HA ' ' A' ' 55' ' ' THR . 34.3 t-20 -94.12 109.55 21.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.485 -0.779 . . . . 2.09 112.362 -178.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.97 -166.96 13.65 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.724 . . . . 0.57 111.73 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -86.69 -58.16 2.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.065 0.459 . . . . 2.94 110.022 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.479 ' HB ' HG11 ' A' ' 29' ' ' VAL . 7.6 p -94.57 -5.4 45.97 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.679 -0.691 . . . . 0.23 110.716 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.996 HD13 ' HB ' ' A' ' 18' ' ' THR . 22.8 tp -135.67 136.28 40.8 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.099 0.476 . . . . 0.14 111.569 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.473 ' H ' HD12 ' B' ' 12' ' ' LEU . 36.6 mtmm -145.34 145.11 31.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.54 -0.754 . . . . 2.46 110.368 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -176.91 -172.34 41.42 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.101 -1.047 . . . . 0.15 113.362 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -142.03 138.71 31.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 1.92 110.456 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.79 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -139.79 168.76 19.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.18 111.272 -179.18 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.509 HG22 ' HA ' ' B' ' 4' ' ' LYS . 60.0 p -143.6 120.08 11.01 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.857 0.688 . . . . 0.16 112.857 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.991 ' HB ' HD13 ' A' ' 12' ' ' LEU . 15.3 t -108.95 147.14 32.7 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.803 -0.635 . . . . 0.15 109.479 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -108.71 119.17 38.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.521 0.201 . . . . 2.06 110.664 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.687 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -148.98 149.62 31.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.188 0.518 . . . . 0.26 111.939 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 t -50.47 -24.88 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.379 -0.828 . . . . 0.35 111.954 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.563 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -156.72 174.7 15.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.879 0.371 . . . . 1.3 111.438 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.401 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -59.39 -42.42 91.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.31 111.371 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.77 -54.99 30.68 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.943 -0.391 . . . . 0.35 109.943 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.871 ' O ' HG23 ' B' ' 29' ' ' VAL . 51.4 p -50.34 -46.25 55.58 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.973 -0.751 . . . . 0.35 108.973 178.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.764 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -58.49 -53.48 57.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.685 -0.689 . . . . 0.26 109.204 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -52.09 -45.0 64.66 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.966 -0.561 . . . . 1.96 110.427 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -66.08 -49.44 67.58 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.927 -0.579 . . . . 1.98 110.251 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.871 HG23 ' O ' ' B' ' 25' ' ' THR . 84.3 t -54.09 -41.85 52.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.078 0.466 . . . . 0.4 109.888 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.764 HG23 ' O ' ' B' ' 26' ' ' ALA . 57.9 t -63.03 -47.59 91.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.722 -0.672 . . . . 0.36 109.481 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -51.14 -43.15 61.14 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 116.26 -0.427 . . . . 2.12 110.496 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -61.15 -38.5 86.66 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.346 -0.613 . . . . 2.1 109.346 178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.846 ' CG ' HD23 ' A' ' 12' ' ' LEU . 37.8 t80 -54.16 -60.88 2.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.218 -0.901 . . . . 0.24 110.166 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -68.94 -40.51 78.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.231 -0.895 . . . . 0.2 110.595 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -51.54 -38.18 52.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.452 0.644 . . . . 0.45 109.818 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.4 -23.84 17.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.823 -1.08 . . . . 1.18 112.414 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.457 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.0 m-20 -80.49 -46.49 15.79 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.414 -0.588 . . . . 0.2 109.414 178.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.74 -118.56 0.0 OUTLIER Glycine 0 C--N 1.332 0.353 0 CA-C-N 114.622 -1.172 . . . . 0.22 115.786 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.602 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.9 t -103.25 -2.14 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 114.82 1.415 . . . . 0.86 114.82 -175.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -125.94 16.89 7.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 119.378 0.99 . . . . 1.57 111.685 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.16 167.04 54.11 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.577 -0.82 . . . . 0.49 113.145 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -95.34 99.83 11.7 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.939 0.399 . . . . 2.19 110.414 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.489 ' CH2' HG12 ' A' ' 30' ' ' VAL . 7.6 m0 -99.34 120.72 40.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.969 -0.559 . . . . 0.65 112.229 -178.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.0 p -104.81 138.44 41.07 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.271 -0.64 . . . . 0.39 109.271 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -111.12 141.66 44.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.037 0.446 . . . . 0.47 111.972 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.49 81.9 1.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.724 -0.671 . . . . 1.24 110.299 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.88 -37.03 13.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.225 -0.443 . . . . 1.17 111.842 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.6 -30.55 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.931 0.345 . . . . 0.56 111.931 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.5 p -128.13 14.28 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.741 -0.209 . . . . 0.63 111.48 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm 48.41 35.15 5.4 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.825 0.345 . . . . 2.35 110.422 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 4' ' ' LYS . 98.8 m -122.16 143.24 49.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.147 0.499 . . . . 0.36 111.986 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' B' ' 52' ' ' PHE . 1.7 m-85 -108.66 142.47 39.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.408 -0.815 . . . . 0.55 109.708 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -120.92 102.07 8.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.269 0.556 . . . . 0.37 112.159 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -82.02 109.35 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.23 -0.895 . . . . 0.4 109.179 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.642 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 22.6 m -103.61 117.34 34.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.437 . . . . 0.64 112.14 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.309 -0.853 . . . . 2.34 110.955 179.715 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.501 ' HE3' ' CZ ' ' A' ' 3' ' ' TYR . 35.7 ttp . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.913 0.387 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.504 ' NE2' ' HB ' ' A' ' 17' ' ' THR . 32.6 tp60 -96.93 131.18 43.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.227 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.501 ' CZ ' ' HE3' ' A' ' 1' ' ' MET . 51.4 m-85 -123.99 140.48 52.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.572 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.798 ' O ' HG23 ' B' ' 51' ' ' THR . 39.9 ttmt -105.4 112.28 25.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.819 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.632 ' HB ' HG23 ' A' ' 16' ' ' THR . 59.8 t -97.39 136.16 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.164 0.507 . . . . 0.0 110.462 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.436 HG13 ' CG2' ' B' ' 51' ' ' THR . 74.6 mt -109.91 125.34 67.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.751 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.452 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.1 mt -103.8 91.12 3.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.14 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.766 ' O ' ' HA ' ' B' ' 55' ' ' THR . 72.4 m-20 -98.63 106.56 18.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.297 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.437 ' HA2' ' HG3' ' B' ' 56' ' ' GLU . . . -112.1 -171.03 18.58 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.122 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -76.43 -56.08 4.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.991 0.424 . . . . 0.0 110.669 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.581 ' OG1' HG13 ' B' ' 29' ' ' VAL . 8.2 p -107.11 6.55 28.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.18 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.923 HD13 ' HB ' ' B' ' 18' ' ' THR . 24.9 tp -138.06 137.89 38.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.1 0.476 . . . . 0.0 111.28 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.474 ' H ' HD12 ' A' ' 12' ' ' LEU . 7.6 mtpm? -145.0 144.66 31.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.502 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.494 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -174.61 -177.03 43.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 119.984 -1.103 . . . . 0.0 113.266 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -137.94 139.12 39.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.819 0.342 . . . . 0.0 110.377 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.77 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -138.13 166.74 23.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.057 -179.592 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.504 ' HB ' ' NE2' ' A' ' 2' ' ' GLN . 63.8 p -143.8 122.65 12.7 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.941 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.4 t -106.9 140.77 39.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.23 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -99.77 108.93 21.36 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.767 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -143.46 148.58 36.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.24 0.543 . . . . 0.0 111.82 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.8 t -50.63 -26.11 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.02 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.628 ' OD1' HG23 ' A' ' 25' ' ' THR . 59.0 p30 -158.29 175.91 13.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.913 0.387 . . . . 0.0 111.392 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.401 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -57.54 -42.29 82.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.595 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.83 -55.02 34.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.833 ' O ' HG23 ' A' ' 29' ' ' VAL . 41.6 p -52.01 -46.02 64.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.626 ' HB1' ' CG2' ' A' ' 18' ' ' THR . . . -59.71 -55.9 28.59 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' CG ' ' NZ ' ' A' ' 31' ' ' LYS . 88.8 tt0 -47.93 -49.21 30.91 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.658 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -60.44 -43.64 96.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.519 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 25' ' ' THR . 79.0 t -54.55 -40.54 50.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.512 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.645 HG12 ' CH2' ' B' ' 43' ' ' TRP . 29.4 t -62.46 -46.88 95.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 12.9 mptt -49.11 -50.55 36.64 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.167 178.136 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.439 ' NE2' ' OD2' ' A' ' 36' ' ' ASP . 34.8 tp60 -63.81 -39.67 94.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.291 0.567 . . . . 0.0 109.493 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.89 ' CG ' HD23 ' B' ' 12' ' ' LEU . 52.9 t80 -54.0 -57.12 12.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.695 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.459 ' HB3' ' HA2' ' B' ' 38' ' ' GLY . 25.8 m-85 -75.49 -39.05 59.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.491 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -50.39 -37.94 40.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.411 0.624 . . . . 0.0 109.982 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.439 ' OD2' ' NE2' ' A' ' 32' ' ' GLN . 57.5 m-20 -94.4 -24.99 17.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.052 -0.977 . . . . 0.0 112.739 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 90.1 m-20 -78.61 -46.33 19.54 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -2.72 -120.06 0.0 OUTLIER Glycine 0 C--N 1.332 0.347 0 CA-C-N 114.566 -1.197 . . . . 0.0 115.775 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.6 t -82.66 -55.39 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 -175.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -95.28 28.89 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -177.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.32 145.4 47.43 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 119.995 -1.098 . . . . 0.0 112.287 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -75.03 95.99 3.12 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.54 0.21 . . . . 0.0 110.442 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.644 ' CH2' HG12 ' B' ' 30' ' ' VAL . 7.4 m0 -108.76 131.54 54.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.6 p -106.51 139.24 41.3 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 177.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -111.44 139.47 46.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.004 0.431 . . . . 0.0 111.869 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -123.64 82.02 1.97 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.194 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.31 -36.33 20.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.39 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.82 -31.79 50.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.629 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.4 p -116.53 9.18 14.16 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.45 ' CE ' ' CE2' ' B' ' 3' ' ' TYR . 10.2 mmmm 48.96 36.69 8.81 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.677 0.275 . . . . 0.0 110.645 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.797 HG23 ' O ' ' B' ' 4' ' ' LYS . 95.7 m -133.28 145.67 50.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.207 0.527 . . . . 0.0 111.811 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.2 m-85 -110.05 145.27 37.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.295 178.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -122.39 101.83 7.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.241 0.543 . . . . 0.0 111.821 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.466 HG22 ' CD2' ' A' ' 43' ' ' TRP . 73.4 t -82.98 116.51 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.927 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.755 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 5.8 m -112.57 121.69 45.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.947 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' HG3' ' HA2' ' B' ' 9' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.838 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.503 ' HE3' ' CZ ' ' B' ' 3' ' ' TYR . 35.7 ttp . . . . . 0 N--CA 1.484 1.26 0 CA-C-O 120.785 0.326 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.507 ' NE2' ' HB ' ' B' ' 17' ' ' THR . 32.5 tp60 -96.9 131.22 43.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.156 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.503 ' CZ ' ' HE3' ' B' ' 1' ' ' MET . 51.2 m-85 -123.99 140.57 52.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.491 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.797 ' O ' HG23 ' A' ' 51' ' ' THR . 40.0 ttmt -105.42 112.11 25.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.759 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.628 ' HB ' HG23 ' B' ' 16' ' ' THR . 59.9 t -97.3 136.19 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.071 0.462 . . . . 0.0 110.527 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.433 HG13 ' CG2' ' A' ' 51' ' ' THR . 75.0 mt -109.91 125.36 67.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.703 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 8.9 mt -103.82 91.14 3.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.183 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.755 ' O ' ' HA ' ' A' ' 55' ' ' THR . 72.4 m-20 -98.73 106.65 18.94 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.285 -178.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.425 ' HA2' ' HG3' ' A' ' 56' ' ' GLU . . . -112.24 -171.0 18.48 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.302 -0.952 . . . . 0.0 112.145 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -76.4 -56.19 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.018 0.437 . . . . 0.0 110.551 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.588 ' OG1' HG13 ' A' ' 29' ' ' VAL . 8.1 p -107.09 6.64 29.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.265 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.941 HD13 ' HB ' ' A' ' 18' ' ' THR . 24.8 tp -138.11 137.85 38.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.998 0.427 . . . . 0.0 111.261 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.473 ' H ' HD12 ' B' ' 12' ' ' LEU . 7.6 mtpm? -144.9 144.7 31.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.456 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -174.6 -176.92 43.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.304 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -138.02 139.16 39.47 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.883 0.373 . . . . 0.0 110.339 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.765 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -138.24 166.77 23.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.079 -179.653 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.507 ' HB ' ' NE2' ' B' ' 2' ' ' GLN . 64.0 p -143.76 122.64 12.72 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.923 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.5 t -106.84 140.85 39.01 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.324 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -99.75 108.94 21.39 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.761 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -143.44 148.68 36.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.138 0.494 . . . . 0.0 111.823 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 t -50.8 -26.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.921 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.635 ' OD1' HG23 ' B' ' 25' ' ' THR . 58.7 p30 -158.29 175.81 13.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.883 0.373 . . . . 0.0 111.376 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.45 -42.3 82.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.628 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.76 -55.2 32.67 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.829 ' O ' HG23 ' B' ' 29' ' ' VAL . 41.4 p -51.93 -46.0 64.51 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.628 ' HB1' ' CG2' ' B' ' 18' ' ' THR . . . -59.65 -56.01 27.3 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.408 ' CG ' ' HZ2' ' B' ' 31' ' ' LYS . 88.7 tt0 -47.87 -49.19 30.31 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.735 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -60.53 -43.56 97.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.57 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.829 HG23 ' O ' ' B' ' 25' ' ' THR . 79.6 t -54.58 -40.5 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.633 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.644 HG12 ' CH2' ' A' ' 43' ' ' TRP . 29.0 t -62.32 -47.11 94.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.564 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.408 ' HZ2' ' CG ' ' B' ' 27' ' ' GLU . 12.9 mptt -48.86 -50.58 34.08 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.318 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.436 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 34.8 tp60 -63.89 -39.65 94.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.291 0.567 . . . . 0.0 109.499 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.89 ' CG ' HD23 ' A' ' 12' ' ' LEU . 52.4 t80 -54.01 -57.03 12.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.74 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.46 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 25.8 m-85 -75.68 -38.94 58.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.448 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -50.43 -38.03 41.16 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.384 0.611 . . . . 0.0 109.898 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.436 ' OD2' ' NE2' ' B' ' 32' ' ' GLN . 57.2 m-20 -94.37 -24.93 17.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.788 -179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 90.0 m-20 -78.65 -46.43 19.2 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -2.65 -120.06 0.0 OUTLIER Glycine 0 C--N 1.333 0.385 0 CA-C-N 114.688 -1.142 . . . . 0.0 115.778 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.65 -55.38 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 -175.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -95.3 28.84 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -177.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.37 145.42 47.39 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 119.895 -1.145 . . . . 0.0 112.376 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -74.99 95.93 3.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.74 0.305 . . . . 0.0 110.434 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.645 ' CH2' HG12 ' A' ' 30' ' ' VAL . 7.4 m0 -108.73 131.5 54.88 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.5 p -106.43 139.25 41.2 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -111.52 139.47 46.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.998 0.428 . . . . 0.0 111.851 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -123.63 81.89 1.95 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.246 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.12 -36.46 19.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.879 0.371 . . . . 0.0 111.336 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.65 -31.87 49.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.674 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 63.5 p -116.46 9.01 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.452 ' CE ' ' CE2' ' A' ' 3' ' ' TYR . 10.2 mmmm 48.92 36.85 8.97 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.829 0.347 . . . . 0.0 110.685 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 4' ' ' LYS . 95.6 m -133.36 145.62 50.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.124 0.488 . . . . 0.0 111.856 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' B' ' 52' ' ' PHE . 1.3 m-85 -110.07 145.31 37.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.266 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -122.35 101.86 7.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.236 0.541 . . . . 0.0 111.87 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.465 HG22 ' CD2' ' B' ' 43' ' ' TRP . 69.5 t -82.82 116.41 26.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.015 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.766 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 5.7 m -112.51 121.66 45.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.84 0.352 . . . . 0.0 111.011 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.437 ' HG3' ' HA2' ' A' ' 9' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.856 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.707 0.289 . . . . 0.0 110.365 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.4 ' O ' ' SD ' ' A' ' 1' ' ' MET . 8.3 tt0 -101.29 132.69 46.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.426 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.455 ' CE2' ' HE2' ' B' ' 50' ' ' LYS . 8.0 m-85 -115.36 145.9 42.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.01 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.786 ' O ' HG23 ' B' ' 51' ' ' THR . 87.1 tttt -98.63 107.86 20.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.788 ' HB ' HG23 ' A' ' 16' ' ' THR . 59.4 t -97.65 120.42 46.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' B' ' 53' ' ' THR . 65.3 mt -101.5 117.02 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.81 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.462 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.5 mt -97.72 87.2 3.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.624 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.5 t-20 -98.08 107.49 19.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.125 -177.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.4 -167.8 14.86 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.441 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.443 ' N ' ' HE2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -77.89 -57.05 4.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.891 0.376 . . . . 0.0 110.822 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.523 ' OG1' HG13 ' B' ' 29' ' ' VAL . 7.1 p -106.01 5.55 30.45 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.248 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.988 HD13 ' HB ' ' B' ' 18' ' ' THR . 23.9 tp -136.86 136.99 39.22 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.112 0.482 . . . . 0.0 111.443 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.482 ' H ' HD12 ' A' ' 12' ' ' LEU . 1.8 mppt? -144.45 144.68 31.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.095 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.508 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -176.12 -172.42 40.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.053 -1.07 . . . . 0.0 113.416 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -142.84 134.91 27.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.941 0.401 . . . . 0.0 110.606 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.788 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -136.28 167.67 20.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.142 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.499 ' O ' HD12 ' B' ' 12' ' ' LEU . 61.8 p -143.44 122.27 12.69 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.988 ' HB ' HD13 ' B' ' 12' ' ' LEU . 14.1 t -110.52 147.4 34.21 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.782 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -109.22 120.7 43.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.603 0.239 . . . . 0.0 110.575 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.662 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -149.07 150.29 32.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.161 0.505 . . . . 0.0 111.992 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 t -51.07 -27.11 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.811 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.501 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -154.82 176.28 12.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 111.355 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.408 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -60.23 -43.14 96.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.494 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.61 -56.36 20.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.881 ' O ' HG23 ' A' ' 29' ' ' VAL . 56.0 p -50.15 -46.01 53.7 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.45 -53.72 54.87 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 177.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.436 ' OE1' ' CE3' ' B' ' 43' ' ' TRP . 4.8 tp10 -49.91 -47.83 51.99 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.483 178.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -62.84 -45.03 94.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.278 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 25' ' ' THR . 87.3 t -55.33 -42.43 66.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.262 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.618 HG12 ' CH2' ' B' ' 43' ' ' TRP . 60.8 t -64.68 -48.36 85.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 57.6 mttp -53.38 -44.15 68.4 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.676 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -62.21 -39.1 91.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.47 0.652 . . . . 0.0 109.281 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.915 ' CG ' HD23 ' B' ' 12' ' ' LEU . 56.6 t80 -52.74 -63.31 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.007 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -66.88 -38.12 85.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.625 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.459 ' ND2' HG21 ' B' ' 39' ' ' VAL . 27.4 t-20 -52.41 -38.4 58.96 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.443 0.639 . . . . 0.0 109.919 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.95 -23.75 17.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.175 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.501 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.5 m-20 -81.59 -46.47 14.37 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.254 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.55 -113.97 0.0 OUTLIER Glycine 0 CA--C 1.521 0.466 0 CA-C-N 115.011 -0.995 . . . . 0.0 115.358 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.652 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.5 t -111.09 5.27 8.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -176.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -125.38 10.93 8.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.664 -0.648 . . . . 0.0 112.089 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.51 170.61 53.53 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.577 -0.821 . . . . 0.0 113.425 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -97.65 104.26 16.27 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.616 ' CH2' HG12 ' B' ' 30' ' ' VAL . 9.4 m0 -102.62 123.79 46.99 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.8 p -108.58 138.03 45.56 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 18.3 t80 -114.09 144.55 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.078 0.466 . . . . 0.0 111.973 -178.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.71 83.62 2.16 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.198 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.3 -36.61 21.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.629 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.95 -29.26 8.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.838 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.1 p -128.16 12.05 6.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.611 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HE2' ' CE2' ' B' ' 3' ' ' TYR . 14.2 mmmm 49.31 33.05 4.87 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.843 0.354 . . . . 0.0 110.215 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.788 HG23 ' O ' ' B' ' 4' ' ' LYS . 94.2 m -117.8 144.14 45.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.381 -178.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.508 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.1 m-85 -115.65 141.85 47.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.407 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -118.84 123.64 45.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.108 0.48 . . . . 0.0 111.181 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.9 t -102.77 107.15 21.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.897 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.623 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 17.0 m -99.68 113.19 25.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.932 0.396 . . . . 0.0 111.446 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.828 -179.864 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' B' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.649 0.261 . . . . 0.0 110.4 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.402 ' O ' ' SD ' ' B' ' 1' ' ' MET . 8.3 tt0 -101.27 132.71 46.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.539 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.459 ' CE2' ' HE2' ' A' ' 50' ' ' LYS . 8.2 m-85 -115.45 145.93 42.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.97 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.788 ' O ' HG23 ' A' ' 51' ' ' THR . 87.1 tttt -98.62 107.9 20.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.795 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.793 ' HB ' HG23 ' B' ' 16' ' ' THR . 59.7 t -97.7 120.41 46.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.052 0.453 . . . . 0.0 110.757 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 53' ' ' THR . 65.7 mt -101.34 116.97 45.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.884 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mt -97.74 87.25 3.99 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.623 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.4 t-20 -97.99 107.48 19.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.203 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.39 -167.8 14.87 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.371 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.442 ' N ' ' HE2' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -77.9 -57.05 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.855 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.521 ' OG1' HG13 ' A' ' 29' ' ' VAL . 7.0 p -105.95 5.39 30.44 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.199 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.988 HD13 ' HB ' ' A' ' 18' ' ' THR . 23.9 tp -136.9 136.94 39.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.181 0.515 . . . . 0.0 111.485 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.484 ' H ' HD12 ' B' ' 12' ' ' LEU . 1.9 mppt? -144.35 144.66 31.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.094 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -176.1 -172.31 40.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 119.99 -1.1 . . . . 0.0 113.349 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -142.85 134.91 27.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.653 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.793 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -136.35 167.66 20.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.12 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.504 ' O ' HD12 ' A' ' 12' ' ' LEU . 60.7 p -143.46 122.4 12.77 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.988 ' HB ' HD13 ' A' ' 12' ' ' LEU . 14.0 t -110.49 147.45 34.07 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.819 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -109.25 120.67 43.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.607 0.242 . . . . 0.0 110.582 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.662 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -148.98 150.41 32.81 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.215 0.531 . . . . 0.0 111.979 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 t -51.1 -27.06 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.863 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.499 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -154.88 176.34 12.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 111.361 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.41 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.35 -43.06 96.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.433 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -56.36 20.58 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.879 ' O ' HG23 ' B' ' 29' ' ' VAL . 56.5 p -50.23 -45.91 54.34 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -59.59 -53.67 55.4 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.438 ' OE1' ' CE3' ' A' ' 43' ' ' TRP . 4.8 tp10 -49.9 -47.95 51.87 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.488 178.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -62.59 -45.25 93.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.196 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.879 HG23 ' O ' ' B' ' 25' ' ' THR . 87.7 t -55.23 -42.4 65.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.313 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.616 HG12 ' CH2' ' A' ' 43' ' ' TRP . 60.7 t -64.69 -48.44 84.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.302 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 57.5 mttp -53.41 -44.18 68.52 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.619 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -62.2 -39.17 91.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.916 ' CG ' HD23 ' A' ' 12' ' ' LEU . 56.4 t80 -52.66 -63.29 1.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.139 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -66.82 -38.03 85.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.719 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.46 ' ND2' HG21 ' A' ' 39' ' ' VAL . 27.5 t-20 -52.56 -38.38 59.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.415 0.626 . . . . 0.0 109.91 178.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.9 -23.73 17.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.241 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.5 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.6 m-20 -81.51 -46.49 14.43 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.961 0.41 . . . . 0.0 110.299 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.67 -113.78 0.0 OUTLIER Glycine 0 CA--C 1.521 0.454 0 CA-C-N 115.03 -0.986 . . . . 0.0 115.34 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.64 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.5 t -111.15 5.15 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -176.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -125.3 10.85 8.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.681 -0.637 . . . . 0.0 112.037 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.27 170.51 53.64 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.486 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -97.61 104.27 16.28 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.618 ' CH2' HG12 ' A' ' 30' ' ' VAL . 9.4 m0 -102.77 123.88 47.27 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.756 0.651 . . . . 0.0 112.756 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 75.3 p -108.58 137.91 45.76 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 18.5 t80 -113.96 144.51 42.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.039 0.447 . . . . 0.0 112.117 -178.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.68 83.71 2.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.212 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.4 -36.69 22.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.497 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.89 -29.29 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.908 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 82.5 p -128.16 12.14 6.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.568 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.455 ' HE2' ' CE2' ' A' ' 3' ' ' TYR . 14.2 mmmm 49.25 33.12 4.83 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.852 0.358 . . . . 0.0 110.274 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.786 HG23 ' O ' ' A' ' 4' ' ' LYS . 94.6 m -117.89 144.16 45.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.3 -178.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.507 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 2.1 m-85 -115.59 141.83 47.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.465 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -118.68 123.63 45.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.06 0.457 . . . . 0.0 111.188 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.5 t -102.73 107.06 21.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.963 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.624 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 17.1 m -99.58 113.21 25.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.922 0.391 . . . . 0.0 111.402 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.914 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.8 ttp . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.715 0.293 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -101.92 140.93 35.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.461 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.434 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 5.5 m-85 -125.5 146.07 49.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.51 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.795 ' O ' HG23 ' B' ' 51' ' ' THR . 48.2 tttm -106.85 108.23 19.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.391 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.883 HG21 HG21 ' A' ' 30' ' ' VAL . 57.9 t -94.66 116.78 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.423 0.63 . . . . 0.0 111.197 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.817 HG22 ' OD1' ' A' ' 8' ' ' ASN . 87.9 mt -94.88 131.78 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.809 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.414 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.8 mt -112.43 105.87 14.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.728 -179.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.817 ' OD1' HG22 ' A' ' 6' ' ' ILE . 5.4 m120 -110.98 109.95 20.3 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.402 ' HA2' ' CB ' ' B' ' 56' ' ' GLU . . . -115.43 -168.27 15.45 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.414 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -76.36 -55.72 5.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.914 0.388 . . . . 0.0 110.763 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.615 ' OG1' HG13 ' B' ' 29' ' ' VAL . 7.0 p -108.32 7.44 27.21 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.27 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.976 HD13 ' HB ' ' B' ' 18' ' ' THR . 27.4 tp -139.05 138.07 36.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.158 0.504 . . . . 0.0 111.617 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.461 ' H ' HD12 ' A' ' 12' ' ' LEU . 7.2 mptt -144.86 145.98 31.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.248 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.58 -167.68 37.73 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.213 -0.994 . . . . 0.0 112.91 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' HB3' ' NZ ' ' A' ' 4' ' ' LYS . 38.7 mt-10 -150.33 146.4 26.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.931 0.396 . . . . 0.0 110.593 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.672 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -141.99 169.89 16.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.964 -179.02 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.468 ' O ' HD12 ' B' ' 12' ' ' LEU . 47.0 p -141.66 119.91 12.22 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -178.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.99 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.5 t -106.9 142.68 36.15 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.998 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -102.05 112.22 24.79 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.625 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -146.02 149.97 35.13 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.427 0.632 . . . . 0.0 112.023 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.99 -27.23 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.125 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.523 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -155.26 176.91 11.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.856 0.36 . . . . 0.0 111.586 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.434 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -60.95 -42.96 99.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.314 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.91 -54.58 40.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.86 ' O ' HG23 ' A' ' 29' ' ' VAL . 60.8 p -52.22 -45.98 65.48 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.479 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.91 -54.85 41.27 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' OE2' ' HG3' ' A' ' 31' ' ' LYS . 3.7 tm-20 -48.29 -49.34 34.15 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.472 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.45 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 4.3 mmmp? -62.31 -43.57 98.52 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.2 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 25' ' ' THR . 88.5 t -55.51 -39.59 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.134 0.492 . . . . 0.0 109.855 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.883 HG21 HG21 ' A' ' 5' ' ' VAL . 61.0 t -65.89 -49.14 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.436 178.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HG3' ' OE2' ' A' ' 27' ' ' GLU . 86.0 mttt -52.37 -43.88 64.94 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.805 178.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -63.82 -38.61 91.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.91 ' CG ' HD23 ' B' ' 12' ' ' LEU . 49.7 t80 -53.56 -61.27 2.41 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.158 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -68.52 -39.35 81.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.96 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.459 ' ND2' HG21 ' B' ' 39' ' ' VAL . 25.7 t-20 -50.86 -38.81 51.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.383 0.611 . . . . 0.0 110.098 178.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -94.49 -23.53 17.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.021 -0.99 . . . . 0.0 112.44 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.471 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.5 m-20 -79.72 -46.28 17.36 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.561 -0.456 . . . . 0.0 109.808 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.06 -116.32 0.0 OUTLIER Glycine 0 C--N 1.333 0.383 0 CA-C-N 114.924 -1.034 . . . . 0.0 115.455 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.7 t -109.56 3.77 9.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -176.249 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.7 12.68 7.98 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.605 0.639 . . . . 0.0 111.955 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.12 169.5 54.03 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.57 -0.824 . . . . 0.0 113.334 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -93.36 99.59 12.08 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.834 0.35 . . . . 0.0 110.198 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.585 ' CH2' HG12 ' B' ' 30' ' ' VAL . 11.9 m0 -99.67 121.33 41.07 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -178.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.8 p -110.13 137.68 47.54 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.503 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 7.6 t80 -112.64 144.17 42.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 111.727 -178.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.621 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.5 t0 -123.53 83.21 2.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.653 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 15.8 m-20 -46.8 -35.07 5.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.581 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.621 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.94 -31.92 13.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.1 p -128.15 14.5 6.75 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm 48.56 36.29 7.29 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.623 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.794 HG23 ' O ' ' B' ' 4' ' ' LYS . 94.5 m -124.05 140.57 52.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.406 -178.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 28.0 m-85 -108.23 142.09 39.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.536 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -117.22 122.98 45.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.139 0.495 . . . . 0.0 111.338 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.444 HG12 ' OD1' ' A' ' 37' ' ' ASN . 59.9 t -99.33 94.81 3.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.618 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 9.6 m -85.75 108.31 18.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.082 0.468 . . . . 0.0 111.581 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.4 ' CB ' ' HA2' ' B' ' 9' ' ' GLY . 5.2 tp10 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.232 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttp . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.752 0.311 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -101.87 141.01 35.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.391 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.426 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 5.2 m-85 -125.61 146.13 49.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.539 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.794 ' O ' HG23 ' A' ' 51' ' ' THR . 48.2 tttm -106.94 108.17 19.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.305 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.866 HG21 HG21 ' B' ' 30' ' ' VAL . 57.6 t -94.62 116.93 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.335 0.588 . . . . 0.0 111.261 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.81 HG22 ' OD1' ' B' ' 8' ' ' ASN . 87.6 mt -95.05 131.8 40.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.756 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.9 mt -112.42 105.78 14.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.733 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.81 ' OD1' HG22 ' B' ' 6' ' ' ILE . 5.4 m120 -110.99 109.87 20.19 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.4 ' HA2' ' CB ' ' A' ' 56' ' ' GLU . . . -115.37 -168.22 15.46 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.489 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -76.36 -55.78 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 0.0 110.691 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.61 ' OG1' HG13 ' A' ' 29' ' ' VAL . 7.2 p -108.23 7.31 27.33 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.291 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.99 HD13 ' HB ' ' A' ' 18' ' ' THR . 27.5 tp -138.94 138.19 37.11 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.111 0.481 . . . . 0.0 111.719 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.461 ' H ' HD12 ' B' ' 12' ' ' LEU . 7.2 mptt -144.96 145.79 31.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.25 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.48 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.64 -167.64 37.64 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.298 -0.954 . . . . 0.0 112.965 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.435 ' HB3' ' NZ ' ' B' ' 4' ' ' LYS . 38.9 mt-10 -150.33 146.47 26.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.969 0.414 . . . . 0.0 110.568 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.665 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -142.07 169.85 16.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.005 -178.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.471 ' O ' HD12 ' A' ' 12' ' ' LEU . 48.9 p -141.63 119.97 12.28 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.976 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.5 t -106.93 142.55 36.37 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.06 178.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -101.96 112.34 24.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.625 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -145.95 149.99 35.23 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 121.259 0.552 . . . . 0.0 112.061 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -51.07 -27.1 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.111 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.522 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -155.38 176.87 12.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.885 0.374 . . . . 0.0 111.481 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.426 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.88 -42.91 98.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.379 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.96 -54.68 38.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.862 ' O ' HG23 ' B' ' 29' ' ' VAL . 61.8 p -52.22 -45.88 65.44 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.473 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.06 -54.75 42.24 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.434 ' OE2' ' HG3' ' B' ' 31' ' ' LYS . 3.7 tm-20 -48.31 -49.34 34.37 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.427 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.452 ' NZ ' ' HB3' ' B' ' 28' ' ' LYS . 4.2 mmmp? -62.33 -43.66 98.31 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.122 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.862 HG23 ' O ' ' B' ' 25' ' ' THR . 87.4 t -55.49 -39.59 54.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.117 0.484 . . . . 0.0 109.844 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.866 HG21 HG21 ' B' ' 5' ' ' VAL . 59.3 t -65.77 -49.26 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.475 178.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.434 ' HG3' ' OE2' ' B' ' 27' ' ' GLU . 86.0 mttt -52.23 -44.03 64.62 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.745 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -63.79 -38.55 91.51 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.908 ' CG ' HD23 ' A' ' 12' ' ' LEU . 50.1 t80 -53.57 -61.19 2.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.188 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -68.7 -39.25 80.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.946 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.464 ' ND2' HG21 ' A' ' 39' ' ' VAL . 25.7 t-20 -50.81 -39.0 51.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.313 0.578 . . . . 0.0 110.058 178.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -94.28 -23.56 17.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.435 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.473 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.5 m-20 -79.77 -46.26 17.32 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.13 -116.3 0.0 OUTLIER Glycine 0 CA--C 1.52 0.392 0 CA-C-N 114.926 -1.034 . . . . 0.0 115.457 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.627 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.7 t -109.49 3.58 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -176.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.5 12.61 8.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 118.54 0.609 . . . . 0.0 111.95 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.1 169.39 53.99 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.323 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -93.34 99.44 11.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.111 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.584 ' CH2' HG12 ' A' ' 30' ' ' VAL . 11.9 m0 -99.48 121.35 41.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.444 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 68.0 p -110.05 137.72 47.43 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 7.5 t80 -112.74 144.16 42.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.969 0.414 . . . . 0.0 111.67 -178.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.622 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.5 t0 -123.48 83.27 2.11 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.627 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.433 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 15.7 m-20 -46.71 -35.14 5.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.564 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.622 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.96 -31.86 13.58 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.9 p -128.11 14.44 6.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm 48.5 36.36 7.27 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 110.592 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.795 HG23 ' O ' ' A' ' 4' ' ' LYS . 93.7 m -124.02 140.48 52.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.517 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.499 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 27.8 m-85 -108.22 142.08 39.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.509 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -117.16 123.15 46.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.107 0.48 . . . . 0.0 111.314 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.446 HG12 ' OD1' ' B' ' 37' ' ' ASN . 59.9 t -99.46 94.81 3.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.575 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.542 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 9.5 m -85.74 108.23 17.97 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.592 -178.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.402 ' CB ' ' HA2' ' A' ' 9' ' ' GLY . 5.2 tp10 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.226 -0.893 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.47 ' HE2' ' HE3' ' B' ' 50' ' ' LYS . 18.1 ttt . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.711 0.291 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -112.07 148.68 33.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.962 0.41 . . . . 0.0 111.229 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.459 ' CE2' ' HE3' ' B' ' 50' ' ' LYS . 7.2 m-85 -130.95 149.56 52.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.67 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.767 ' O ' HG23 ' B' ' 51' ' ' THR . 17.5 tppt? -98.83 108.52 21.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.652 ' HB ' HG23 ' A' ' 16' ' ' THR . 60.9 t -96.15 128.03 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.905 0.384 . . . . 0.0 110.383 179.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.485 ' CD1' HG21 ' B' ' 51' ' ' THR . 71.8 mt -108.69 127.66 65.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.328 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.415 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.5 mt -107.44 95.55 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.284 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.764 ' O ' ' HA ' ' B' ' 55' ' ' THR . 69.6 m-20 -103.24 107.95 18.97 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.194 -179.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.82 -169.54 16.89 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.281 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -78.01 -57.4 3.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.038 0.447 . . . . 0.0 110.573 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.472 ' OG1' HG13 ' B' ' 29' ' ' VAL . 4.0 p -104.53 4.33 32.89 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.198 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.963 HD13 ' HB ' ' B' ' 18' ' ' THR . 24.0 tp -137.22 137.14 38.79 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.992 0.425 . . . . 0.0 111.199 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' H ' HD12 ' A' ' 12' ' ' LEU . 35.8 mtmm -145.19 146.0 31.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.455 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.51 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.87 -169.06 39.75 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.075 -1.059 . . . . 0.0 113.21 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -143.52 153.37 42.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 0.0 110.739 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.747 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -150.95 168.79 23.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.034 -179.601 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.481 ' O ' HD12 ' B' ' 12' ' ' LEU . 74.5 p -143.26 121.19 12.02 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -178.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.972 ' HB ' HD13 ' B' ' 12' ' ' LEU . 14.2 t -107.79 142.65 37.5 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.94 178.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -103.18 115.75 31.18 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.7 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -148.84 151.27 34.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.261 0.553 . . . . 0.0 111.93 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.1 t -50.63 -25.44 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.946 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.659 ' OD1' HG23 ' A' ' 25' ' ' THR . 57.5 p30 -158.71 175.68 13.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.791 0.329 . . . . 0.0 111.505 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.36 -43.0 83.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.754 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.04 -56.13 22.16 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.883 ' O ' HG23 ' A' ' 29' ' ' VAL . 50.2 p -51.07 -45.77 61.52 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.9 -52.74 64.11 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.494 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 44.7 tt0 -52.78 -49.24 65.96 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.785 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -59.43 -43.0 93.19 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.693 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 25' ' ' THR . 98.2 t -56.37 -38.86 57.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.112 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.656 HG12 ' CH2' ' B' ' 43' ' ' TRP . 38.5 t -65.17 -48.44 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.693 179.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.494 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 1.1 mptm? -50.16 -44.79 52.86 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.746 0.308 . . . . 0.0 110.401 178.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -66.44 -39.38 88.85 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.913 ' CG ' HD23 ' B' ' 12' ' ' LEU . 66.3 t80 -53.45 -59.59 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.482 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.439 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 28.8 m-85 -71.23 -39.17 71.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.225 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -51.0 -38.54 51.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.432 0.634 . . . . 0.0 109.799 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.31 -25.7 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.815 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.499 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.6 m-20 -78.74 -45.56 20.89 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -3.67 -117.18 0.0 OUTLIER Glycine 0 CA--C 1.521 0.409 0 CA-C-N 114.575 -1.193 . . . . 0.0 115.719 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.1 t -83.77 -55.51 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 -175.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -91.55 27.24 2.05 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -177.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.69 144.08 46.4 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 119.997 -1.097 . . . . 0.0 112.325 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -73.7 91.74 1.92 Allowed 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.704 ' CD1' HG13 ' A' ' 54' ' ' VAL . 11.8 m0 -106.12 132.21 52.46 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.436 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 70.4 p -112.56 141.97 45.69 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.436 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 6.1 t80 -111.1 142.0 43.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.987 0.422 . . . . 0.0 111.544 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.475 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.3 t0 -123.32 83.21 2.1 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.608 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.42 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 14.0 m-20 -48.22 -37.14 15.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.352 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.475 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.49 -32.26 17.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.952 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.3 p -122.7 12.41 9.89 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HE3' ' HE2' ' B' ' 1' ' ' MET . 7.2 mmmm 49.76 34.94 8.13 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.707 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.763 HG23 ' O ' ' B' ' 4' ' ' LYS . 94.9 m -125.73 144.11 50.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.111 0.482 . . . . 0.0 111.953 -178.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.9 m-85 -110.37 144.52 39.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.502 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.436 ' HG1' ' HG1' ' A' ' 44' ' ' THR . 2.9 p -122.14 124.45 43.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.343 0.592 . . . . 0.0 111.871 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.704 HG13 ' CD1' ' A' ' 43' ' ' TRP . 61.5 t -104.59 113.05 40.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.72 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.755 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 3.2 m -108.61 119.39 39.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.097 0.475 . . . . 0.0 111.512 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.994 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.475 ' HE2' ' HE3' ' A' ' 50' ' ' LYS . 18.1 ttt . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 120.649 0.261 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -111.97 148.71 33.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.984 0.421 . . . . 0.0 111.251 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.465 ' CE2' ' HE3' ' A' ' 50' ' ' LYS . 7.0 m-85 -131.03 149.67 52.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.723 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.763 ' O ' HG23 ' A' ' 51' ' ' THR . 17.5 tppt? -99.0 108.59 21.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.662 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.3 t -96.31 128.07 47.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.987 0.423 . . . . 0.0 110.257 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.485 ' CD1' HG21 ' A' ' 51' ' ' THR . 72.0 mt -108.8 127.64 65.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.264 -179.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.5 mt -107.46 95.47 5.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.254 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.755 ' O ' ' HA ' ' A' ' 55' ' ' THR . 69.3 m-20 -103.17 107.98 19.0 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.201 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.86 -169.5 16.85 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.335 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -78.07 -57.35 3.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.966 0.412 . . . . 0.0 110.582 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.477 ' OG1' HG13 ' A' ' 29' ' ' VAL . 4.0 p -104.58 4.37 32.79 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.242 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.972 HD13 ' HB ' ' A' ' 18' ' ' THR . 24.0 tp -137.28 137.16 38.7 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.126 0.489 . . . . 0.0 111.17 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.458 ' H ' HD12 ' B' ' 12' ' ' LEU . 35.8 mtmm -145.2 145.92 31.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.49 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.78 -169.04 39.77 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.082 -1.056 . . . . 0.0 113.26 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -143.56 153.3 42.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.606 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.746 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -150.88 168.87 23.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.126 -179.69 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.475 ' O ' HD12 ' A' ' 12' ' ' LEU . 75.6 p -143.35 121.14 11.92 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -178.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.963 ' HB ' HD13 ' A' ' 12' ' ' LEU . 14.3 t -107.8 142.64 37.52 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.879 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -103.17 115.79 31.25 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.697 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -148.85 151.19 34.3 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.177 0.513 . . . . 0.0 112.028 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 30.8 t -50.59 -25.52 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.996 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.658 ' OD1' HG23 ' B' ' 25' ' ' THR . 57.6 p30 -158.64 175.7 13.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.815 0.34 . . . . 0.0 111.481 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.34 -42.9 82.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.823 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 -56.09 22.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.883 ' O ' HG23 ' B' ' 29' ' ' VAL . 51.1 p -50.96 -45.95 60.95 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.582 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.74 -52.82 63.84 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.065 -0.716 . . . . 0.0 109.065 178.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.498 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 44.7 tt0 -52.64 -49.34 65.37 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.783 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -59.53 -42.92 93.4 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.883 HG23 ' O ' ' B' ' 25' ' ' THR . 98.0 t -56.42 -38.87 57.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.138 179.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.655 HG12 ' CH2' ' A' ' 43' ' ' TRP . 38.4 t -65.2 -48.35 83.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.688 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.498 ' HD3' ' O ' ' B' ' 27' ' ' GLU . 1.1 mptm? -50.19 -44.8 53.16 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.844 0.354 . . . . 0.0 110.445 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 35.4 tp60 -66.45 -39.3 88.79 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.902 ' CG ' HD23 ' A' ' 12' ' ' LEU . 66.1 t80 -53.49 -59.56 4.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.501 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.44 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 28.7 m-85 -71.3 -39.11 71.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.207 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -50.89 -38.61 50.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.387 0.613 . . . . 0.0 109.896 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.28 -25.67 16.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.825 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' B' ' 38' ' ' GLY . 21.1 m120 -78.87 -45.26 21.06 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -3.78 -117.27 0.0 OUTLIER Glycine 0 C--N 1.333 0.404 0 CA-C-N 114.624 -1.171 . . . . 0.0 115.746 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 88.2 t -83.57 -55.6 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 -175.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -91.62 27.22 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.54 144.11 46.68 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.032 -1.08 . . . . 0.0 112.374 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -73.86 91.68 1.99 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.702 ' CD1' HG13 ' B' ' 54' ' ' VAL . 11.9 m0 -106.06 132.21 52.42 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.469 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 72.2 p -112.53 141.85 45.8 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.433 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 6.1 t80 -110.89 142.01 43.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 111.661 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.476 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.3 t0 -123.36 83.18 2.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.661 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.423 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 14.2 m-20 -48.3 -37.02 15.37 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.3 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.476 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.58 -32.22 18.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.008 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.5 p -122.68 12.44 9.91 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.47 ' HE3' ' HE2' ' A' ' 1' ' ' MET . 7.2 mmmm 49.87 34.86 8.32 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.744 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.767 HG23 ' O ' ' A' ' 4' ' ' LYS . 94.2 m -125.69 143.94 50.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.119 0.485 . . . . 0.0 111.927 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' B' ' 52' ' ' PHE . 1.9 m-85 -110.26 144.44 38.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.638 178.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.469 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 2.9 p -122.11 124.58 44.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.358 0.599 . . . . 0.0 111.723 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.702 HG13 ' CD1' ' B' ' 43' ' ' TRP . 61.1 t -104.6 113.2 40.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.666 178.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.764 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 3.2 m -108.67 119.39 39.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.033 0.444 . . . . 0.0 111.52 -178.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.025 -179.844 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.8 mtp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.938 0.399 . . . . 0.0 111.716 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -102.45 140.42 36.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.341 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -124.51 146.38 49.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.127 0.489 . . . . 0.0 111.735 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.627 ' O ' HG23 ' B' ' 51' ' ' THR . 17.6 tppt? -98.95 104.87 16.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.565 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.65 HG11 HG11 ' A' ' 30' ' ' VAL . 73.8 t -94.54 112.12 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.448 0.642 . . . . 0.0 110.749 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.838 HG22 ' OD1' ' A' ' 8' ' ' ASN . 68.1 mt -94.83 128.77 45.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.615 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.468 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 15.2 mt -110.02 105.31 14.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.126 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.838 ' OD1' HG22 ' A' ' 6' ' ' ILE . 5.3 m120 -109.27 108.77 19.49 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.413 ' HA2' ' HG2' ' B' ' 56' ' ' GLU . . . -113.42 -171.26 17.76 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.816 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -77.18 -52.47 9.19 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.959 0.409 . . . . 0.0 110.308 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.48 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 7.8 p -108.12 5.24 25.76 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.453 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.974 HD13 ' HB ' ' B' ' 18' ' ' THR . 24.3 tp -137.41 138.33 39.73 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.093 0.473 . . . . 0.0 111.625 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.484 ' H ' HD12 ' A' ' 12' ' ' LEU . 1.9 mppt? -143.9 143.16 31.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.922 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.67 -176.73 44.15 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 119.989 -1.1 . . . . 0.0 113.586 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -139.23 137.1 35.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.826 0.346 . . . . 0.0 110.131 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.726 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -137.12 167.64 21.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.47 HG22 ' HA ' ' A' ' 4' ' ' LYS . 73.2 p -143.69 119.85 10.79 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -178.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.982 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.6 t -107.65 145.24 33.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.529 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -105.86 116.72 32.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.659 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.08 152.29 35.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.312 0.577 . . . . 0.0 111.887 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.2 t -51.22 -37.78 18.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.018 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.451 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 5.8 p-10 -144.35 170.52 15.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.838 0.351 . . . . 0.0 111.594 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.3 -42.05 85.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.126 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.14 -55.95 20.89 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.838 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.0 p -52.82 -43.93 66.32 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.276 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.697 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.87 -52.46 64.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -50.49 -47.69 57.11 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.347 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -62.76 -45.65 91.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.069 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 25' ' ' THR . 87.3 t -58.41 -39.77 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.03 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.732 ' CG2' HG21 ' A' ' 18' ' ' THR . 45.6 t -68.18 -50.0 62.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 29.2 mtpp -51.45 -43.19 62.01 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.452 ' NE2' ' OD2' ' A' ' 36' ' ' ASP . 35.9 tp60 -59.53 -36.6 76.44 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.928 ' CG ' HD23 ' B' ' 12' ' ' LEU . 49.9 t80 -53.82 -63.43 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.115 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -67.71 -39.73 84.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.702 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.446 ' ND2' HG22 ' B' ' 39' ' ' VAL . 34.6 t-20 -49.79 -39.2 37.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.539 0.685 . . . . 0.0 109.663 178.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.452 ' OD2' ' NE2' ' A' ' 32' ' ' GLN . 59.4 m-20 -94.62 -24.14 17.32 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.858 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.492 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.1 m-20 -79.28 -43.03 24.47 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.035 0.445 . . . . 0.0 110.515 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.44 -114.76 0.0 OUTLIER Glycine 0 CA--C 1.521 0.435 0 CA-C-N 114.746 -1.116 . . . . 0.0 115.491 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.441 HG22 ' ND2' ' B' ' 35' ' ' ASN . 71.7 t -86.05 -55.18 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 -175.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -87.87 25.09 1.6 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.85 165.31 52.9 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 119.611 -1.281 . . . . 0.0 111.417 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -88.66 93.18 9.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.343 0.572 . . . . 0.0 110.619 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.541 ' CH2' HG12 ' B' ' 30' ' ' VAL . 11.5 m95 -93.97 114.4 26.59 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.2 p -109.34 138.21 46.04 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.514 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 8.7 t80 -113.43 144.01 43.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 111.812 -178.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -123.58 83.84 2.19 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.468 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.415 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 12.6 m-20 -45.68 -35.37 4.12 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.723 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.04 -34.27 20.9 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.1 p -128.2 13.72 6.68 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp 51.69 30.38 6.69 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.881 0.372 . . . . 0.0 110.254 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.623 HG23 ' O ' ' B' ' 4' ' ' LYS . 95.4 m -113.02 148.75 34.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.925 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.514 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 2.7 m-85 -120.04 139.0 53.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.469 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 3.0 p -115.38 123.22 48.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.136 0.493 . . . . 0.0 111.062 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -105.56 106.71 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.677 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.729 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 36.8 m -100.36 116.31 32.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.76 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' HG2' ' HA2' ' B' ' 9' ' ' GLY . 8.4 pt-20 . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.856 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 88.8 mtp . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 121.049 0.452 . . . . 0.0 111.744 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -102.47 140.51 36.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.34 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -124.61 146.36 49.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.183 0.516 . . . . 0.0 111.564 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.623 ' O ' HG23 ' A' ' 51' ' ' THR . 17.6 tppt? -98.92 104.92 17.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.528 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.651 HG21 HG21 ' B' ' 30' ' ' VAL . 73.0 t -94.53 112.13 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.379 0.609 . . . . 0.0 110.721 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.835 HG22 ' OD1' ' B' ' 8' ' ' ASN . 68.5 mt -94.88 128.76 45.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.683 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 15.2 mt -109.95 105.29 14.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.237 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.835 ' OD1' HG22 ' B' ' 6' ' ' ILE . 5.4 m120 -109.18 108.7 19.44 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.409 ' HA2' ' HG2' ' A' ' 56' ' ' GLU . . . -113.41 -171.25 17.76 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.334 -0.936 . . . . 0.0 111.784 178.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -77.1 -52.6 9.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.952 0.406 . . . . 0.0 110.343 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.482 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 7.8 p -107.97 5.32 26.12 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.518 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.982 HD13 ' HB ' ' A' ' 18' ' ' THR . 24.2 tp -137.45 138.19 39.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.145 0.497 . . . . 0.0 111.714 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.481 ' H ' HD12 ' B' ' 12' ' ' LEU . 1.9 mppt? -143.85 143.08 31.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.93 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.63 -176.74 44.12 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 119.979 -1.105 . . . . 0.0 113.436 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -139.15 137.05 35.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.777 0.322 . . . . 0.0 110.175 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.712 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -137.11 167.62 21.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.473 HG22 ' HA ' ' B' ' 4' ' ' LYS . 73.2 p -143.72 119.94 10.83 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.974 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.7 t -107.7 145.24 33.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.481 178.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -105.95 116.63 32.27 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -148.94 152.18 35.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.289 0.566 . . . . 0.0 112.0 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -51.12 -37.7 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.102 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.447 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 5.7 p-10 -144.45 170.45 16.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.977 0.418 . . . . 0.0 111.522 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.23 -42.04 85.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.227 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.1 -55.87 21.68 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.841 ' O ' HG23 ' B' ' 29' ' ' VAL . 26.5 p -52.96 -43.97 66.78 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.705 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.73 -52.46 65.03 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -50.65 -47.66 58.52 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.281 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -62.66 -45.67 91.75 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.068 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.841 HG23 ' O ' ' B' ' 25' ' ' THR . 86.4 t -58.47 -39.65 75.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.127 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.729 ' CG2' HG21 ' B' ' 18' ' ' THR . 45.7 t -68.21 -50.08 61.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.416 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . 29.2 mtpp -51.5 -43.04 62.1 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.976 0.417 . . . . 0.0 109.988 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.454 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 35.9 tp60 -59.8 -36.41 76.68 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.933 ' CG ' HD23 ' A' ' 12' ' ' LEU . 49.4 t80 -53.95 -63.28 1.2 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.167 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -67.71 -39.59 84.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.746 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.441 ' ND2' HG22 ' A' ' 39' ' ' VAL . 34.8 t-20 -50.06 -39.04 40.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.56 0.695 . . . . 0.0 109.616 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.454 ' OD2' ' NE2' ' B' ' 32' ' ' GLN . 58.9 m-20 -94.68 -24.17 17.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 114.637 -1.165 . . . . 0.0 112.707 -179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.487 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.1 m-20 -79.49 -43.06 23.92 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.909 0.385 . . . . 0.0 110.386 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.28 -114.7 0.0 OUTLIER Glycine 0 CA--C 1.523 0.545 0 CA-C-N 114.883 -1.053 . . . . 0.0 115.501 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.446 HG22 ' ND2' ' A' ' 35' ' ' ASN . 72.8 t -86.06 -55.31 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -175.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -87.76 25.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -176.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.78 165.34 52.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 119.757 -1.211 . . . . 0.0 111.302 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -88.93 93.41 9.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.233 0.517 . . . . 0.0 110.673 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.542 ' CH2' HG12 ' A' ' 30' ' ' VAL . 11.3 m95 -94.05 114.31 26.45 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.465 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 59.7 p -109.26 138.19 45.99 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.514 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 8.7 t80 -113.43 143.96 43.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.394 . . . . 0.0 111.842 -178.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -123.5 83.74 2.18 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.524 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.421 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 12.6 m-20 -45.63 -35.31 3.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.769 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.14 -34.22 21.51 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.5 p -128.2 13.66 6.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp 51.68 30.53 6.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.912 0.386 . . . . 0.0 110.157 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 4' ' ' LYS . 95.0 m -113.08 148.78 34.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.878 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.514 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 2.8 m-85 -120.09 138.92 53.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.431 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.0 p -115.3 123.13 47.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.013 0.435 . . . . 0.0 111.125 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.9 t -105.55 106.86 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.65 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.736 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 38.6 m -100.45 116.38 32.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.676 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.413 ' HG2' ' HA2' ' A' ' 9' ' ' GLY . 8.4 pt-20 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.817 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.0 ttm . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.928 0.395 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -101.02 139.59 36.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.886 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.643 ' CE2' ' NZ ' ' B' ' 50' ' ' LYS . 36.7 m-85 -120.69 142.75 49.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.012 0.434 . . . . 0.0 111.459 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.73 ' O ' HG23 ' B' ' 51' ' ' THR . 22.6 tptm -99.25 103.76 15.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.347 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.586 ' HB ' HG23 ' A' ' 16' ' ' THR . 98.4 t -94.91 123.58 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.331 0.586 . . . . 0.0 111.652 -178.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.417 HG13 ' CG2' ' B' ' 51' ' ' THR . 13.8 mt -102.67 124.86 56.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.547 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.487 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.9 mt -103.15 84.5 2.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.609 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.496 ' O ' ' HA ' ' B' ' 55' ' ' THR . 34.9 t-20 -91.3 106.98 18.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.817 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.43 -167.36 14.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.697 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.544 ' HA ' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -82.43 -58.04 3.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.191 0.519 . . . . 0.0 110.147 179.549 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.461 ' HB ' HG11 ' B' ' 29' ' ' VAL . 3.1 p -100.19 0.23 40.05 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.957 HD13 ' HB ' ' B' ' 18' ' ' THR . 14.3 tp -139.32 138.03 36.33 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.334 0.587 . . . . 0.0 111.641 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.607 ' H ' HD12 ' A' ' 12' ' ' LEU . 27.3 mtpp -145.27 147.41 32.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.322 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.444 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -173.42 -173.26 39.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 119.337 -1.411 . . . . 0.0 114.572 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.592 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 56.0 mm-40 -138.59 126.34 22.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.898 -0.651 . . . . 0.0 110.02 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.82 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -134.34 167.12 21.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.276 -179.511 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.452 HG22 ' HD2' ' A' ' 4' ' ' LYS . 59.2 p -143.42 118.99 10.37 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.938 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.5 t -108.89 144.33 36.94 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.841 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -103.54 115.52 30.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.52 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.639 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -147.51 148.65 31.42 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 121.121 0.486 . . . . 0.0 111.796 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 t -50.88 -28.2 6.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.038 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.54 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -154.48 175.5 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 111.306 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.43 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -60.36 -42.97 96.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.406 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -63.08 -55.12 28.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.868 ' O ' HG23 ' A' ' 29' ' ' VAL . 43.4 p -50.89 -45.51 60.13 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.844 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.18 -52.06 66.91 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.319 178.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -53.3 -45.46 68.96 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.419 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 73.8 mmtt -65.57 -47.53 75.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.316 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 25' ' ' THR . 90.6 t -56.81 -41.36 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.048 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 26' ' ' ALA . 40.8 t -64.61 -46.65 91.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 9.4 mtpm? -49.7 -45.11 48.57 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-O 121.099 0.476 . . . . 0.0 110.064 178.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.456 ' NE2' ' OD2' ' A' ' 36' ' ' ASP . 35.7 tp60 -59.43 -36.49 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.229 178.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.549 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 34.5 t80 -54.5 -62.39 1.69 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.227 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.476 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 23.9 m-85 -68.09 -39.5 82.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.545 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.404 ' ND2' HG21 ' B' ' 39' ' ' VAL . 34.0 t-20 -50.07 -39.44 42.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.595 0.712 . . . . 0.0 109.848 178.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.456 ' OD2' ' NE2' ' A' ' 32' ' ' GLN . 56.9 m-20 -94.89 -23.02 17.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.715 -1.13 . . . . 0.0 112.614 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.477 ' O ' ' C ' ' A' ' 38' ' ' GLY . 88.0 m-20 -79.98 -46.34 16.83 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.988 0.423 . . . . 0.0 109.958 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.95 -116.54 0.0 OUTLIER Glycine 0 C--N 1.332 0.341 0 CA-C-N 114.755 -1.111 . . . . 0.0 115.402 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 39' ' ' VAL . 39.7 t -106.53 2.65 10.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -176.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -125.28 15.48 8.35 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 118.811 0.732 . . . . 0.0 112.021 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.6 172.92 52.49 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.49 -0.862 . . . . 0.0 113.152 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -98.07 100.68 12.02 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 110.428 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.423 ' HH2' HG12 ' B' ' 30' ' ' VAL . 8.3 m95 -96.46 118.69 33.51 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.1 p -109.21 136.14 49.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.887 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 20.4 t80 -107.34 144.78 33.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.935 0.398 . . . . 0.0 111.936 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.465 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.3 t70 -122.85 81.69 1.9 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.578 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.39 -36.34 9.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.792 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.465 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.66 -33.67 16.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.876 -178.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.4 p -128.28 15.48 6.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.569 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.643 ' NZ ' ' CE2' ' B' ' 3' ' ' TYR . 0.4 OUTLIER 50.87 32.24 7.06 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 -179.605 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.736 HG23 ' O ' ' B' ' 4' ' ' LYS . 97.3 m -107.43 148.26 29.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.237 -178.145 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.542 ' HD2' HG22 ' B' ' 5' ' ' VAL . 88.8 m-85 -114.87 118.04 32.41 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.869 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -101.99 123.35 45.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.337 0.589 . . . . 0.0 111.477 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.6 t -108.59 105.61 19.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.494 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 18.6 m -98.44 118.15 34.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.987 0.422 . . . . 0.0 111.654 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.105 179.893 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 55.6 ttm . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.939 0.399 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -101.01 139.48 36.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.97 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.643 ' CE2' ' NZ ' ' A' ' 50' ' ' LYS . 36.6 m-85 -120.64 142.68 49.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.05 0.453 . . . . 0.0 111.523 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.736 ' O ' HG23 ' A' ' 51' ' ' THR . 22.5 tptm -99.14 103.66 15.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.351 179.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.583 ' HB ' HG23 ' B' ' 16' ' ' THR . 98.5 t -94.9 123.73 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.366 0.603 . . . . 0.0 111.689 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' PHE . 13.6 mt -102.83 124.85 57.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.44 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.0 mt -103.15 84.51 2.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.522 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.505 ' O ' ' HA ' ' A' ' 55' ' ' THR . 34.7 t-20 -91.23 106.97 18.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.893 -178.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.48 -167.39 14.29 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.677 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.542 ' HA ' ' NZ ' ' B' ' 10' ' ' LYS . 0.0 OUTLIER -82.39 -58.08 3.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.203 0.525 . . . . 0.0 110.156 179.617 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.459 ' HB ' HG11 ' A' ' 29' ' ' VAL . 3.0 p -100.24 0.2 39.87 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.938 HD13 ' HB ' ' A' ' 18' ' ' THR . 14.4 tp -139.19 137.98 36.51 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.219 0.533 . . . . 0.0 111.733 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.604 ' H ' HD12 ' B' ' 12' ' ' LEU . 27.3 mtpp -145.3 147.43 32.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.411 179.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -173.44 -173.25 39.58 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 119.248 -1.453 . . . . 0.0 114.467 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.596 ' HB3' ' HE2' ' B' ' 4' ' ' LYS . 56.0 mm-40 -138.67 126.34 22.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.796 -0.702 . . . . 0.0 109.977 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.821 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -134.33 167.14 21.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.263 -179.485 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.444 HG22 ' HA ' ' B' ' 4' ' ' LYS . 58.6 p -143.46 118.99 10.34 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.957 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.4 t -108.92 144.32 37.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.773 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -103.59 115.59 30.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.477 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -147.57 148.7 31.43 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 121.166 0.508 . . . . 0.0 111.791 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 25.4 t -50.76 -28.31 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.013 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.539 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -154.48 175.46 13.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.882 0.372 . . . . 0.0 111.297 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.36 -42.92 96.77 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.481 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -63.06 -55.19 27.65 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.866 ' O ' HG23 ' B' ' 29' ' ' VAL . 42.9 p -50.93 -45.53 60.51 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.852 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.18 -52.04 67.01 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -53.22 -45.65 68.75 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.419 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' B' ' 24' ' ' ALA . 73.8 mmtt -65.41 -47.64 75.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.331 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.866 HG23 ' O ' ' B' ' 25' ' ' THR . 90.6 t -56.65 -41.39 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.114 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.852 HG23 ' O ' ' B' ' 26' ' ' ALA . 40.9 t -64.6 -46.75 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.458 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 9.4 mtpm? -49.62 -45.1 47.79 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 121.126 0.488 . . . . 0.0 110.129 178.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.457 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 35.7 tp60 -59.44 -36.48 76.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.225 178.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.548 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 34.4 t80 -54.62 -62.37 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.201 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.476 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 23.9 m-85 -67.9 -39.69 83.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.595 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.411 ' ND2' HG21 ' A' ' 39' ' ' VAL . 33.9 t-20 -50.04 -39.45 41.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.565 0.698 . . . . 0.0 109.865 178.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.457 ' OD2' ' NE2' ' B' ' 32' ' ' GLN . 56.9 m-20 -94.86 -22.98 17.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.567 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.479 ' O ' ' C ' ' B' ' 38' ' ' GLY . 88.0 m-20 -79.95 -46.31 16.95 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.948 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.93 -116.53 0.0 OUTLIER Glycine 0 C--N 1.332 0.357 0 CA-C-N 114.723 -1.126 . . . . 0.0 115.39 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.652 HG12 ' O ' ' B' ' 39' ' ' VAL . 40.0 t -106.59 2.68 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -176.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -125.19 15.21 8.41 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.548 -0.72 . . . . 0.0 112.009 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.24 173.2 53.07 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.467 -0.873 . . . . 0.0 113.185 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -98.31 100.79 12.1 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.413 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.428 ' HH2' HG12 ' A' ' 30' ' ' VAL . 8.2 m95 -96.59 118.63 33.48 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 59.4 p -109.22 136.07 49.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.884 178.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.522 ' CD1' ' CE1' ' B' ' 52' ' ' PHE . 20.3 t80 -107.35 144.84 33.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.004 0.431 . . . . 0.0 111.829 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.462 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.3 t70 -123.0 81.61 1.89 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.471 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.24 -36.36 8.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.784 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.462 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.62 -33.65 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -178.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.0 p -128.27 15.5 6.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.673 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.65 ' HZ2' ' HB3' ' B' ' 50' ' ' LYS . 0.4 OUTLIER 50.87 32.28 7.09 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.598 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 4' ' ' LYS . 97.3 m -107.39 148.33 29.23 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.188 -178.175 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.543 ' HD2' HG22 ' A' ' 5' ' ' VAL . 88.4 m-85 -114.94 118.15 32.64 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.845 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -101.86 123.27 45.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.28 0.562 . . . . 0.0 111.479 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.6 t -108.71 105.61 19.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.471 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 18.5 m -98.29 118.16 34.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.871 0.367 . . . . 0.0 111.578 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.948 179.919 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.48 ' HG3' ' CE1' ' A' ' 3' ' ' TYR . 55.2 tpp . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.983 0.42 . . . . 0.0 111.522 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -101.71 140.33 36.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.835 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.48 ' CE1' ' HG3' ' A' ' 1' ' ' MET . 63.3 m-85 -125.78 142.03 51.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.89 0.376 . . . . 0.0 110.977 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.848 ' O ' HG23 ' B' ' 51' ' ' THR . 24.8 ttmm -109.77 111.58 23.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.593 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.7 HG21 HG21 ' A' ' 30' ' ' VAL . 51.8 t -94.29 125.09 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.154 0.502 . . . . 0.0 111.008 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.509 ' HB ' HG22 ' B' ' 53' ' ' THR . 75.9 mt -94.92 122.67 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.584 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.443 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.5 mt -102.97 83.67 2.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.331 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.735 ' O ' ' HA ' ' B' ' 55' ' ' THR . 75.2 m-20 -92.25 106.91 18.82 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.164 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.02 -171.62 18.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.074 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -78.69 -55.13 5.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.872 0.368 . . . . 0.0 110.466 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.573 ' OG1' HG13 ' B' ' 29' ' ' VAL . 7.7 p -105.41 3.33 29.56 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.936 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.964 HD13 ' HB ' ' B' ' 18' ' ' THR . 18.6 tp -137.77 138.61 39.43 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.04 0.448 . . . . 0.0 111.263 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.547 ' H ' HD12 ' A' ' 12' ' ' LEU . 60.7 mttp -145.11 145.08 31.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.23 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.19 -177.2 44.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.031 -1.081 . . . . 0.0 113.482 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -138.9 136.02 35.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.265 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.803 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -134.41 165.65 24.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.069 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.3 p -143.47 119.19 10.48 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.967 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.0 t -107.38 145.64 32.65 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.373 178.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -107.99 118.93 38.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.581 0.229 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.601 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -149.07 152.04 35.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.211 0.529 . . . . 0.0 111.968 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.88 -27.67 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.753 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.465 ' OD1' HG23 ' A' ' 25' ' ' THR . 6.4 p-10 -153.39 174.79 13.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 111.542 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.635 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -59.22 -42.91 92.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.255 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.86 -55.31 31.15 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.794 ' O ' HG23 ' A' ' 29' ' ' VAL . 34.1 p -52.14 -45.19 64.9 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.495 ' HB1' HG23 ' A' ' 18' ' ' THR . . . -60.26 -53.43 57.76 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 4.8 tp10 -50.3 -50.22 51.29 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.918 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -57.24 -38.84 74.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.994 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 25' ' ' THR . 93.4 t -57.93 -39.74 73.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.7 HG21 HG21 ' A' ' 5' ' ' VAL . 43.1 t -63.96 -48.15 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HD2' ' CZ3' ' B' ' 43' ' ' TRP . 1.0 OUTLIER -46.58 -42.92 16.74 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.675 179.094 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -72.88 -36.46 67.36 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.956 ' CG ' HD23 ' B' ' 12' ' ' LEU . 49.6 t80 -55.75 -57.24 12.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.771 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.47 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 25.1 m-85 -73.39 -40.66 64.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.528 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.587 HD22 HG21 ' B' ' 39' ' ' VAL . 14.4 t-20 -49.84 -37.61 31.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.397 0.618 . . . . 0.0 110.045 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.5 -22.81 18.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.608 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.47 ' O ' ' C ' ' A' ' 38' ' ' GLY . 19.0 m120 -79.62 -46.87 16.42 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 120.272 -0.571 . . . . 0.0 109.466 178.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.33 -120.66 0.0 OUTLIER Glycine 0 C--N 1.334 0.454 0 CA-C-N 114.967 -1.015 . . . . 0.0 115.621 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 39' ' ' VAL . 27.0 t -111.62 3.8 8.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -176.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -125.16 13.33 8.34 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.836 -0.54 . . . . 0.0 112.003 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.67 176.03 53.41 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.992 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -97.78 101.04 12.45 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.781 0.324 . . . . 0.0 110.138 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CH2' HG12 ' B' ' 30' ' ' VAL . 14.4 m0 -98.52 120.86 39.67 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -178.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.9 p -103.34 134.11 47.28 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.506 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 11.3 t80 -106.35 140.1 39.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.894 0.378 . . . . 0.0 111.511 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.494 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.4 t70 -123.26 81.41 1.88 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.558 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.23 -35.46 12.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.438 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.494 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.92 -31.08 11.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.97 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.4 p -126.97 14.55 7.37 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 48.95 38.48 12.46 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.066 0.46 . . . . 0.0 110.384 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.847 HG23 ' O ' ' B' ' 4' ' ' LYS . 97.4 m -121.58 141.64 50.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.475 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.683 ' O ' HG13 ' B' ' 5' ' ' VAL . 96.4 m-85 -108.91 95.54 5.72 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-O 121.334 0.588 . . . . 0.0 111.879 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.509 HG22 ' HB ' ' B' ' 6' ' ' ILE . 2.5 p -76.59 130.12 37.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.693 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.2 t -122.14 127.53 75.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.385 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.725 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 5.6 m -116.27 124.16 49.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.019 0.438 . . . . 0.0 111.678 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.887 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.475 ' HG3' ' CE1' ' B' ' 3' ' ' TYR . 55.0 tpp . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.986 0.422 . . . . 0.0 111.459 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -101.73 140.21 36.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.829 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.475 ' CE1' ' HG3' ' B' ' 1' ' ' MET . 63.7 m-85 -125.67 142.01 51.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.794 0.33 . . . . 0.0 111.053 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.847 ' O ' HG23 ' A' ' 51' ' ' THR . 24.8 ttmm -109.76 111.57 23.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.562 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.698 HG21 HG21 ' B' ' 30' ' ' VAL . 51.1 t -94.29 125.12 46.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.246 0.546 . . . . 0.0 111.015 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.509 ' HB ' HG22 ' A' ' 53' ' ' THR . 75.6 mt -94.94 122.75 46.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.575 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mt -102.98 83.69 2.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.287 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.725 ' O ' ' HA ' ' A' ' 55' ' ' THR . 75.1 m-20 -92.26 106.96 18.86 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.092 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.1 -171.65 18.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.96 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -78.64 -55.05 5.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.924 0.392 . . . . 0.0 110.562 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.574 ' OG1' HG13 ' A' ' 29' ' ' VAL . 7.7 p -105.46 3.36 29.46 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.953 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.967 HD13 ' HB ' ' A' ' 18' ' ' THR . 18.9 tp -137.82 138.66 39.41 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.051 0.453 . . . . 0.0 111.252 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.55 ' H ' HD12 ' B' ' 12' ' ' LEU . 60.8 mttp -145.15 145.07 31.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.228 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.13 -177.14 43.99 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 119.98 -1.105 . . . . 0.0 113.475 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -138.87 136.14 35.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.918 0.39 . . . . 0.0 110.239 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.793 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -134.52 165.66 24.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.99 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 69.1 p -143.49 119.18 10.46 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.964 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.0 t -107.39 145.71 32.59 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.368 178.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -108.07 118.96 38.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.663 0.268 . . . . 0.0 110.759 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.599 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -149.1 152.0 35.4 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 121.204 0.526 . . . . 0.0 111.964 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.88 -27.62 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.691 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.464 ' OD1' HG23 ' B' ' 25' ' ' THR . 6.5 p-10 -153.42 174.76 13.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.998 0.428 . . . . 0.0 111.47 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.63 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -59.21 -42.93 92.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.353 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.93 -55.16 32.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.045 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.796 ' O ' HG23 ' B' ' 29' ' ' VAL . 34.2 p -52.18 -45.09 65.01 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 178.389 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.492 ' HB1' HG23 ' B' ' 18' ' ' THR . . . -60.41 -53.41 57.89 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 178.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.423 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 4.8 tp10 -50.2 -50.28 49.94 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.972 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -57.13 -38.84 74.06 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.066 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.796 HG23 ' O ' ' B' ' 25' ' ' THR . 93.7 t -57.99 -39.7 73.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.698 HG21 HG21 ' B' ' 5' ' ' VAL . 43.0 t -63.94 -48.23 87.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.463 ' HD2' ' CZ3' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -46.67 -42.82 17.01 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.72 179.173 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -72.83 -36.49 67.49 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.956 ' CG ' HD23 ' A' ' 12' ' ' LEU . 49.9 t80 -55.77 -57.26 12.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.792 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.468 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 25.2 m-85 -73.31 -40.69 64.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.629 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.58 HD22 HG21 ' A' ' 39' ' ' VAL . 14.4 t-20 -49.77 -37.63 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.346 0.593 . . . . 0.0 110.027 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.49 -22.8 18.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.08 -0.964 . . . . 0.0 112.551 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.47 ' O ' ' C ' ' B' ' 38' ' ' GLY . 19.0 m120 -79.73 -46.81 16.37 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.459 178.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.37 -120.65 0.0 OUTLIER Glycine 0 C--N 1.334 0.435 0 CA-C-N 114.986 -1.006 . . . . 0.0 115.562 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' B' ' 39' ' ' VAL . 26.9 t -111.63 3.9 8.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -176.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -125.25 13.22 8.28 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 121.789 -0.569 . . . . 0.0 111.985 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.61 175.98 53.45 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.078 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -97.73 101.03 12.43 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.566 ' CH2' HG12 ' A' ' 30' ' ' VAL . 14.5 m0 -98.49 120.93 39.77 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 66.4 p -103.36 134.1 47.31 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.503 ' CD1' ' CE1' ' B' ' 52' ' ' PHE . 11.1 t80 -106.31 140.11 39.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.382 . . . . 0.0 111.488 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.493 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.4 t70 -123.22 81.41 1.88 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.587 179.44 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.32 -35.44 12.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.43 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.493 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.98 -30.94 11.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.899 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.9 p -127.02 14.58 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 48.98 38.47 12.54 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.035 0.445 . . . . 0.0 110.437 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.848 HG23 ' O ' ' A' ' 4' ' ' LYS . 99.6 m -121.47 141.65 50.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.516 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.679 ' O ' HG13 ' A' ' 5' ' ' VAL . 96.5 m-85 -108.94 95.5 5.69 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.339 0.59 . . . . 0.0 111.851 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.509 HG22 ' HB ' ' A' ' 6' ' ' ILE . 2.6 p -76.5 130.14 37.52 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.719 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.2 t -122.13 127.49 75.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.491 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.735 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 5.6 m -116.31 124.17 49.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.028 0.442 . . . . 0.0 111.613 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.884 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.451 ' HE3' ' CZ ' ' A' ' 3' ' ' TYR . 43.9 ttp . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.659 0.266 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -109.89 149.3 30.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.824 0.345 . . . . 0.0 110.601 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.451 ' CZ ' ' HE3' ' A' ' 1' ' ' MET . 4.6 m-85 -133.95 151.75 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.6 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.57 ' HA ' HG22 ' A' ' 17' ' ' THR . 39.1 ttpt -101.39 108.3 19.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.392 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.53 ' HB ' HG23 ' A' ' 16' ' ' THR . 67.3 t -94.75 111.82 26.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.42 0.629 . . . . 0.0 110.957 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.819 HG22 ' OD1' ' A' ' 8' ' ' ASN . 69.9 mt -94.68 131.43 41.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.233 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.452 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 14.7 mt -111.24 103.35 11.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.495 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.819 ' OD1' HG22 ' A' ' 6' ' ' ILE . 5.2 m120 -106.99 108.9 20.63 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -178.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.19 -170.74 17.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.919 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 4.0 mptp? -78.0 -54.81 5.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.898 0.38 . . . . 0.0 110.679 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.454 ' OG1' HG13 ' B' ' 29' ' ' VAL . 9.2 p -104.62 4.54 32.86 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.342 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.987 HD13 ' HB ' ' B' ' 18' ' ' THR . 23.6 tp -138.66 138.58 37.92 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.147 0.499 . . . . 0.0 111.65 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.484 ' H ' HD12 ' A' ' 12' ' ' LEU . 1.7 mppt? -144.89 145.41 31.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.049 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.475 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -177.63 -170.77 40.35 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 119.98 -1.105 . . . . 0.0 113.464 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -145.27 140.82 28.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.772 0.32 . . . . 0.0 110.498 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.713 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -141.56 169.32 17.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.573 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.57 HG22 ' HA ' ' A' ' 4' ' ' LYS . 47.4 p -143.19 120.07 11.28 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.987 ' HB ' HD13 ' B' ' 12' ' ' LEU . 15.3 t -107.16 142.56 36.68 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.047 179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -98.19 110.18 22.81 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.678 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -145.73 147.86 32.38 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.137 0.494 . . . . 0.0 111.952 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.0 t -50.89 -28.04 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.987 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.64 ' OD1' HG23 ' A' ' 25' ' ' THR . 58.1 p30 -158.13 177.81 10.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.954 0.407 . . . . 0.0 111.584 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.87 91.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.511 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.43 -55.65 28.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.116 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.861 ' O ' HG23 ' A' ' 29' ' ' VAL . 46.5 p -51.3 -45.54 62.22 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.789 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.11 -53.85 53.7 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' OE2' ' CE3' ' B' ' 43' ' ' TRP . 40.4 tp10 -48.56 -47.98 39.06 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.33 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -65.5 -48.9 71.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.1 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 25' ' ' THR . 85.2 t -54.91 -42.28 62.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.378 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 26' ' ' ALA . 29.5 t -65.54 -47.92 84.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 64.9 mttm -49.87 -41.92 46.5 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.152 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -63.71 -37.17 86.35 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.935 ' CG ' HD23 ' B' ' 12' ' ' LEU . 39.6 t80 -54.97 -59.08 5.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.181 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -70.84 -40.82 72.16 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.941 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 29.4 t-20 -49.49 -38.55 30.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.492 0.663 . . . . 0.0 109.716 178.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -94.37 -22.81 18.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.717 -1.129 . . . . 0.0 112.491 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.472 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 88.2 m-20 -81.53 -46.84 13.91 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.028 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -8.89 -116.11 0.0 OUTLIER Glycine 0 C--N 1.333 0.367 0 N-CA-C 115.763 1.065 . . . . 0.0 115.763 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.65 HG12 ' O ' ' A' ' 39' ' ' VAL . 32.5 t -110.63 5.02 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -176.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -125.14 11.75 8.23 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.818 -0.551 . . . . 0.0 111.729 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.67 175.9 52.2 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.556 -0.831 . . . . 0.0 113.106 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -98.73 100.83 12.08 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.757 0.313 . . . . 0.0 110.535 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.514 ' HH2' HG12 ' B' ' 30' ' ' VAL . 13.9 m95 -91.32 112.23 24.05 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.1 p -104.46 133.24 49.67 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.426 ' CD2' ' OD1' ' A' ' 47' ' ' ASP . 9.8 t80 -111.9 144.98 40.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.896 0.379 . . . . 0.0 111.442 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -123.17 84.83 2.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.959 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.426 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 22.3 m-20 -48.7 -36.77 16.91 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.378 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.78 -33.4 16.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.013 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.5 p -127.41 15.29 7.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.609 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? 46.46 36.27 3.4 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.182 0.515 . . . . 0.0 110.679 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.682 HG21 HD12 ' B' ' 6' ' ' ILE . 98.6 m -116.59 146.49 42.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.264 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' B' ' 6' ' ' ILE . 61.8 m-85 -110.11 126.93 54.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.07 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 3.0 p -110.6 125.97 53.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.02 0.438 . . . . 0.0 111.206 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.8 t -114.56 115.01 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.064 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.621 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 10.1 m -99.91 113.28 25.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.982 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' O ' ' HE2' ' B' ' 10' ' ' LYS . 4.3 tm-20 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.042 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.432 ' HE3' ' CZ ' ' B' ' 3' ' ' TYR . 44.0 ttp . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.639 0.257 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -109.85 149.22 30.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.657 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.432 ' CZ ' ' HE3' ' B' ' 1' ' ' MET . 4.7 m-85 -133.85 151.78 51.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.616 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.572 ' HA ' HG22 ' B' ' 17' ' ' THR . 39.0 ttpt -101.44 108.15 19.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 110.428 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.521 ' HB ' HG23 ' B' ' 16' ' ' THR . 67.2 t -94.65 111.92 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 121.405 0.621 . . . . 0.0 111.033 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.827 HG22 ' OD1' ' B' ' 8' ' ' ASN . 70.3 mt -94.7 131.55 41.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.217 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 14.5 mt -111.37 103.49 11.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.463 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.827 ' OD1' HG22 ' B' ' 6' ' ' ILE . 5.2 m120 -107.16 108.8 20.42 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -178.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.1 -170.75 17.11 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.469 -0.872 . . . . 0.0 111.895 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' B' ' 10' ' ' LYS . 4.0 mptp? -78.06 -54.72 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.888 0.375 . . . . 0.0 110.591 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.453 ' OG1' HG13 ' A' ' 29' ' ' VAL . 9.3 p -104.82 4.65 32.39 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.326 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.987 HD13 ' HB ' ' A' ' 18' ' ' THR . 23.3 tp -138.76 138.57 37.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.126 0.489 . . . . 0.0 111.583 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.481 ' H ' HD12 ' B' ' 12' ' ' LEU . 1.7 mppt? -144.94 145.37 31.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.083 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -177.63 -170.8 40.37 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.029 -1.081 . . . . 0.0 113.545 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -145.2 140.83 28.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.754 0.311 . . . . 0.0 110.507 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.711 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -141.55 169.16 18.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.545 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.572 HG22 ' HA ' ' B' ' 4' ' ' LYS . 46.5 p -143.15 120.12 11.34 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.987 ' HB ' HD13 ' A' ' 12' ' ' LEU . 15.3 t -107.08 142.73 36.28 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.029 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -98.3 110.34 22.94 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.675 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -145.76 147.93 32.42 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.168 0.508 . . . . 0.0 111.972 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 37.2 t -50.9 -28.05 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.069 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.645 ' OD1' HG23 ' B' ' 25' ' ' THR . 58.2 p30 -158.12 177.78 10.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.93 0.395 . . . . 0.0 111.623 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.87 91.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.626 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.39 -55.73 28.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.089 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.864 ' O ' HG23 ' B' ' 29' ' ' VAL . 46.8 p -51.22 -45.59 61.98 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.8 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -58.96 -53.95 52.58 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.417 ' OE2' ' CE3' ' A' ' 43' ' ' TRP . 40.5 tp10 -48.52 -48.05 38.58 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.389 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -65.42 -48.88 71.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.104 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.864 HG23 ' O ' ' B' ' 25' ' ' THR . 83.9 t -54.94 -42.31 63.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.281 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.8 HG23 ' O ' ' B' ' 26' ' ' ALA . 29.0 t -65.56 -47.86 84.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 64.9 mttm -49.95 -41.95 47.61 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.14 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -63.54 -37.29 86.74 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.938 ' CG ' HD23 ' A' ' 12' ' ' LEU . 39.3 t80 -54.96 -59.08 5.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.173 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -70.81 -40.87 72.24 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.895 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' B' ' 31' ' ' LYS . 29.4 t-20 -49.45 -38.6 30.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.607 0.717 . . . . 0.0 109.78 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -94.31 -22.78 18.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.704 -1.135 . . . . 0.0 112.539 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.473 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 88.2 m-20 -81.56 -46.89 13.8 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.06 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -8.81 -116.23 0.0 OUTLIER Glycine 0 CA--C 1.519 0.324 0 CA-C-N 114.97 -1.014 . . . . 0.0 115.615 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.645 HG12 ' O ' ' B' ' 39' ' ' VAL . 32.5 t -110.56 5.08 8.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -176.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -125.15 11.6 8.21 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.872 -0.517 . . . . 0.0 111.784 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.6 175.94 52.32 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.596 -0.811 . . . . 0.0 113.111 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -98.81 100.77 12.01 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.774 0.321 . . . . 0.0 110.539 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.506 ' HH2' HG12 ' A' ' 30' ' ' VAL . 13.9 m95 -91.36 112.2 24.01 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 64.1 p -104.46 133.18 49.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.666 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.429 ' CD2' ' OD1' ' B' ' 47' ' ' ASP . 9.9 t80 -111.82 144.96 40.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.984 0.421 . . . . 0.0 111.44 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -123.15 84.96 2.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.869 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.429 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 22.1 m-20 -48.68 -36.77 16.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.495 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.82 -33.48 16.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.997 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 72.1 p -127.39 15.47 7.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? 46.46 36.11 3.3 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.17 0.51 . . . . 0.0 110.7 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.677 HG21 HD12 ' A' ' 6' ' ' ILE . 98.9 m -116.47 146.53 42.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.268 -179.231 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 6' ' ' ILE . 62.0 m-85 -110.09 126.94 54.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -110.65 125.96 54.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.068 0.461 . . . . 0.0 111.123 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 48.5 t -114.5 115.01 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.099 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.62 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 10.0 m -99.97 113.33 25.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.895 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.423 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 4.3 tm-20 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.383 -0.818 . . . . 0.0 111.058 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.452 ' CE ' ' CE ' ' B' ' 50' ' ' LYS . 18.3 ttt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.632 0.253 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -106.55 141.24 38.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.129 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -127.94 148.16 50.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.82 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.488 ' HB2' ' NZ ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -94.9 135.29 36.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.406 179.617 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.951 ' HB ' HG23 ' A' ' 16' ' ' THR . 47.7 t -122.22 117.43 52.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.172 0.511 . . . . 0.0 111.054 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.601 ' HB ' HG22 ' B' ' 53' ' ' THR . 70.9 mt -98.88 118.7 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.72 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.456 ' CD2' HG12 ' A' ' 5' ' ' VAL . 9.3 mt -101.22 88.47 3.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.909 0.385 . . . . 0.0 110.315 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.578 ' O ' ' HA ' ' B' ' 55' ' ' THR . 70.7 m-20 -95.55 105.46 17.44 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.319 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.16 -171.14 20.0 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.219 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -73.74 -55.26 6.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.709 0.29 . . . . 0.0 111.134 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.544 ' OG1' HG13 ' B' ' 29' ' ' VAL . 4.7 p -112.85 13.15 19.62 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.193 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.956 HD23 ' CG ' ' B' ' 33' ' ' PHE . 20.9 tp -138.54 138.45 38.0 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.978 0.418 . . . . 0.0 110.922 -179.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' H ' HD12 ' A' ' 12' ' ' LEU . 35.2 mmtp -141.35 140.13 33.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.492 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -174.11 -176.64 42.68 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 119.929 -1.129 . . . . 0.0 113.45 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 54.4 mp0 -142.91 140.88 31.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.466 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.951 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -137.89 168.46 19.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.919 -179.81 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.487 ' O ' HD12 ' B' ' 12' ' ' LEU . 81.3 p -143.63 121.26 11.81 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -179.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.944 ' HB ' HD13 ' B' ' 12' ' ' LEU . 10.3 t -105.98 141.01 38.09 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.188 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -100.68 111.92 24.23 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.632 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -147.6 151.2 35.84 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 121.3 0.571 . . . . 0.0 112.082 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.1 t -51.02 -37.12 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.114 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.633 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -144.11 171.12 14.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.802 0.334 . . . . 0.0 111.311 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.529 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -57.5 -42.46 82.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.57 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.84 -54.47 38.36 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.755 ' O ' HG23 ' A' ' 29' ' ' VAL . 74.0 p -52.13 -45.87 65.14 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.632 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.98 -51.79 68.14 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.282 178.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.488 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 44.6 tt0 -53.15 -48.53 67.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.818 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -57.53 -39.64 77.04 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.832 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 25' ' ' THR . 86.9 t -56.88 -39.79 67.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.751 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.486 ' CG1' ' CE2' ' A' ' 34' ' ' PHE . 10.5 t -63.66 -47.23 92.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.599 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.488 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 4.2 mptp? -47.56 -46.42 27.89 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.886 0.374 . . . . 0.0 110.484 178.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -69.38 -38.09 77.86 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.958 ' CG ' HD23 ' B' ' 12' ' ' LEU . 62.9 t80 -55.26 -53.61 53.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.866 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.486 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 22.7 m-85 -76.81 -39.83 50.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.403 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.6 HD22 HG21 ' B' ' 39' ' ' VAL . 14.7 t-20 -50.17 -37.72 36.15 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.389 0.614 . . . . 0.0 110.029 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -94.22 -24.47 17.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.531 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.559 ' OD1' HG12 ' A' ' 54' ' ' VAL . 84.7 m-20 -77.49 -46.46 22.39 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 37' ' ' ASN . . . -4.16 -122.55 0.0 OUTLIER Glycine 0 C--N 1.334 0.425 0 CA-C-N 114.777 -1.101 . . . . 0.0 115.595 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.664 HG12 ' O ' ' A' ' 39' ' ' VAL . 33.3 t -112.04 4.9 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.56 13.4 8.73 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.877 -0.514 . . . . 0.0 112.125 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.17 176.33 53.8 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.508 -0.853 . . . . 0.0 113.016 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -96.9 102.9 14.77 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.472 ' CH2' ' HD2' ' B' ' 31' ' ' LYS . 7.2 m0 -100.36 120.49 40.04 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.428 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 74.7 p -107.16 135.77 48.12 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.515 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 8.5 t80 -111.26 144.44 40.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.962 0.41 . . . . 0.0 111.421 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.452 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.7 t0 -123.27 83.39 2.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.608 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 52.8 m-20 -48.0 -37.31 14.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.424 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.452 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -53.16 -35.12 59.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.042 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.1 p -115.82 10.56 15.35 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.486 ' HB3' ' NZ ' ' A' ' 50' ' ' LYS . 2.8 mmmp? 49.05 34.9 6.15 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.78 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 70.7 m -127.11 146.12 50.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.105 0.479 . . . . 0.0 111.871 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.527 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 1.9 m-85 -109.84 141.15 42.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.828 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.608 HG22 ' HB ' ' B' ' 6' ' ' ILE . 2.8 p -120.45 128.26 53.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.264 0.554 . . . . 0.0 111.939 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.559 HG12 ' OD1' ' A' ' 37' ' ' ASN . 48.0 t -108.05 108.95 26.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.109 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.578 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 2.9 m -99.88 112.3 24.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.987 0.422 . . . . 0.0 111.378 -178.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.932 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.469 ' HE2' ' CE ' ' A' ' 50' ' ' LYS . 18.3 ttt . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.717 0.294 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -106.58 141.29 38.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.335 . . . . 0.0 111.132 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -128.0 148.18 50.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.484 ' NZ ' ' HB2' ' B' ' 4' ' ' LYS . 0.1 OUTLIER -95.01 135.36 36.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.303 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.952 ' HB ' HG23 ' B' ' 16' ' ' THR . 47.6 t -122.25 117.4 52.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.136 0.493 . . . . 0.0 111.044 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.608 ' HB ' HG22 ' A' ' 53' ' ' THR . 70.9 mt -98.89 118.63 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.777 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.45 ' CD2' HG12 ' B' ' 5' ' ' VAL . 9.3 mt -101.15 88.5 3.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.935 0.398 . . . . 0.0 110.371 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.578 ' O ' ' HA ' ' A' ' 55' ' ' THR . 70.9 m-20 -95.62 105.46 17.45 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.344 -179.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.25 -171.16 19.94 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.21 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -73.54 -55.41 6.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.689 0.281 . . . . 0.0 111.185 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.546 ' OG1' HG13 ' A' ' 29' ' ' VAL . 4.8 p -112.72 12.97 19.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.189 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.958 HD23 ' CG ' ' A' ' 33' ' ' PHE . 20.9 tp -138.45 138.34 38.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.998 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.523 ' H ' HD12 ' B' ' 12' ' ' LEU . 35.2 mmtp -141.19 140.2 33.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.128 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -174.09 -176.73 42.73 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.011 -1.09 . . . . 0.0 113.446 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 54.6 mp0 -142.92 141.05 31.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.95 0.405 . . . . 0.0 110.421 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.952 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -138.0 168.51 19.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.949 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.488 ' O ' HD12 ' A' ' 12' ' ' LEU . 79.2 p -143.77 121.18 11.66 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.939 ' HB ' HD13 ' A' ' 12' ' ' LEU . 10.1 t -106.01 141.07 38.02 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.133 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -100.67 111.79 24.08 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.632 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -147.52 151.25 36.04 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.284 0.564 . . . . 0.0 112.121 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.2 t -51.09 -37.05 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.006 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.634 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -144.24 171.05 14.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.871 0.367 . . . . 0.0 111.267 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.527 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -57.48 -42.38 82.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.648 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.85 -54.36 39.92 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.756 ' O ' HG23 ' B' ' 29' ' ' VAL . 75.2 p -52.24 -45.72 65.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.632 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -60.03 -51.85 67.87 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.206 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.483 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 44.6 tt0 -53.14 -48.55 67.82 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.872 179.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -57.52 -39.6 76.91 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.829 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.756 HG23 ' O ' ' B' ' 25' ' ' THR . 87.1 t -56.85 -39.9 67.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.695 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.488 ' CG1' ' CE2' ' B' ' 34' ' ' PHE . 10.5 t -63.65 -47.36 91.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.483 ' HD3' ' O ' ' B' ' 27' ' ' GLU . 4.1 mptp? -47.48 -46.45 27.04 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.921 0.391 . . . . 0.0 110.557 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -69.28 -38.2 78.24 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.956 ' CG ' HD23 ' A' ' 12' ' ' LEU . 62.8 t80 -55.19 -53.64 53.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.877 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.488 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 22.8 m-85 -76.66 -39.95 50.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.365 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.595 HD22 HG21 ' A' ' 39' ' ' VAL . 14.6 t-20 -50.19 -37.72 36.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.446 0.641 . . . . 0.0 110.056 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -94.25 -24.46 17.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.133 -0.94 . . . . 0.0 112.501 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.561 ' OD1' HG12 ' B' ' 54' ' ' VAL . 84.7 m-20 -77.49 -46.35 22.74 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' B' ' 37' ' ' ASN . . . -4.21 -122.57 0.0 OUTLIER Glycine 0 C--N 1.333 0.415 0 CA-C-N 114.678 -1.147 . . . . 0.0 115.587 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.667 HG12 ' O ' ' B' ' 39' ' ' VAL . 34.1 t -112.0 4.89 8.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -176.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.54 13.41 8.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.841 -0.537 . . . . 0.0 112.067 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.27 176.3 53.73 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.997 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -96.78 102.89 14.76 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.471 ' CZ3' ' HB ' ' A' ' 30' ' ' VAL . 7.1 m0 -100.26 120.43 39.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.462 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 75.0 p -107.23 135.65 48.4 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.513 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 8.4 t80 -111.15 144.36 40.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.939 0.399 . . . . 0.0 111.425 -178.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.451 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.6 t0 -123.2 83.34 2.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.75 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 53.2 m-20 -47.88 -37.52 14.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.338 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.451 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -53.1 -35.01 59.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.022 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.4 p -115.92 10.64 15.26 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.483 ' NZ ' ' HB3' ' B' ' 50' ' ' LYS . 2.8 mmmp? 48.96 34.95 5.99 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.837 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 70.0 m -127.14 145.99 50.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.075 0.464 . . . . 0.0 111.917 -178.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.529 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 1.9 m-85 -109.77 141.2 42.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.886 179.152 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.601 HG22 ' HB ' ' A' ' 6' ' ' ILE . 2.7 p -120.5 128.26 52.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.322 0.582 . . . . 0.0 111.911 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.561 HG12 ' OD1' ' B' ' 37' ' ' ASN . 47.9 t -107.89 108.97 26.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.139 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.578 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 2.9 m -99.95 112.19 24.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.019 0.438 . . . . 0.0 111.457 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.974 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.0 mmm . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 121.021 0.439 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -105.83 144.88 31.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.176 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 17' ' ' THR . 21.2 m-85 -125.91 143.68 50.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.706 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.807 ' O ' HG23 ' B' ' 51' ' ' THR . 6.8 ttpm? -105.83 108.47 20.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.206 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.804 ' HB ' HG23 ' A' ' 16' ' ' THR . 52.0 t -94.8 132.03 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.278 0.561 . . . . 0.0 111.374 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.44 HG13 ' CG2' ' B' ' 51' ' ' THR . 67.2 mt -101.25 116.22 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.512 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.449 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.2 mt -94.85 89.85 5.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.535 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.587 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.6 t-20 -98.23 105.48 17.63 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.913 -178.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.512 ' HA2' ' OE1' ' B' ' 56' ' ' GLU . . . -113.98 -166.63 15.96 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.033 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.478 ' HG2' ' HG3' ' B' ' 56' ' ' GLU . 28.3 mmmt -72.0 -57.08 4.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.327 . . . . 0.0 111.326 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.641 ' OG1' HG13 ' B' ' 29' ' ' VAL . 3.9 p -114.73 15.0 17.61 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.093 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.964 HD13 ' HB ' ' B' ' 18' ' ' THR . 33.1 tp -139.54 139.22 36.82 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.127 0.489 . . . . 0.0 111.342 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' H ' HD12 ' A' ' 12' ' ' LEU . 66.4 mttm -145.28 144.61 30.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.208 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.539 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.04 -169.75 39.34 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.059 -1.067 . . . . 0.0 113.542 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -145.36 136.7 25.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.032 0.444 . . . . 0.0 110.749 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.804 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -131.54 168.17 18.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.904 -179.766 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.485 ' O ' HD12 ' B' ' 12' ' ' LEU . 66.9 p -143.44 118.47 10.05 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.986 ' HB ' HD13 ' B' ' 12' ' ' LEU . 10.3 t -107.44 143.57 35.6 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.349 178.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -106.71 112.65 25.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.645 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -143.22 153.16 42.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.372 0.606 . . . . 0.0 112.001 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -50.79 -26.0 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.806 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.546 ' OD1' HG23 ' A' ' 25' ' ' THR . 7.9 p-10 -157.97 174.95 14.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.007 0.432 . . . . 0.0 111.635 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -58.21 -42.0 85.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.323 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -62.52 -54.11 44.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.174 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.831 ' O ' HG23 ' A' ' 29' ' ' VAL . 33.3 p -52.4 -44.68 65.51 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.466 ' HB1' ' CG2' ' A' ' 18' ' ' THR . . . -60.26 -53.15 61.08 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.138 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -51.09 -48.5 61.65 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.773 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -61.57 -44.26 97.36 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.108 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 25' ' ' THR . 78.7 t -55.47 -44.57 76.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.654 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.741 HG21 HG21 ' A' ' 5' ' ' VAL . 90.7 t -65.06 -47.54 87.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.446 ' HA ' ' CH2' ' B' ' 43' ' ' TRP . 90.7 mttt -48.34 -49.0 36.02 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.591 179.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.424 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 58.7 tt0 -66.7 -35.81 81.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.512 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.948 ' CG ' HD23 ' B' ' 12' ' ' LEU . 69.8 t80 -52.59 -51.46 59.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.999 178.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.433 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 26.3 m-85 -77.34 -37.21 52.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.305 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.562 ' ND2' HG22 ' B' ' 39' ' ' VAL . 27.7 t-20 -49.92 -39.78 41.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.629 0.728 . . . . 0.0 109.81 178.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.71 -24.34 17.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.722 -1.126 . . . . 0.0 112.863 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 88.8 m-20 -78.22 -46.14 21.2 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -3.61 -119.53 0.0 OUTLIER Glycine 0 CA--C 1.521 0.427 0 CA-C-N 114.415 -1.266 . . . . 0.0 116.156 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.557 HG22 ' ND2' ' B' ' 35' ' ' ASN . 58.7 t -85.52 -55.23 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 -175.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -92.2 29.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -176.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.64 161.76 54.26 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 119.887 -1.149 . . . . 0.0 112.057 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -87.53 99.17 11.83 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.86 0.33 . . . . 0.0 110.11 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.612 ' CH2' HG12 ' B' ' 30' ' ' VAL . 8.4 m0 -100.91 118.95 37.97 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.9 p -110.65 137.81 47.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.51 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 8.4 t80 -114.62 144.8 42.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.726 0.298 . . . . 0.0 111.526 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.655 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.1 t70 -123.52 84.34 2.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.59 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 17.9 m-20 -47.93 -34.05 8.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.33 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.655 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.91 -34.09 19.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.22 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.4 p -125.25 16.0 8.37 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 50' ' ' LYS . 8.3 mmmt 48.95 35.41 6.69 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.702 0.287 . . . . 0.0 110.613 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.805 HG23 ' O ' ' B' ' 4' ' ' LYS . 95.8 m -125.23 142.01 51.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.007 0.432 . . . . 0.0 111.845 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.51 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 6.8 m-85 -107.7 138.99 42.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.352 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -116.24 125.77 52.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.204 0.526 . . . . 0.0 111.025 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.1 t -113.89 119.22 60.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.143 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.588 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 8.9 m -100.45 110.15 22.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.42 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.507 ' OE1' ' HA2' ' B' ' 9' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.204 -0.903 . . . . 0.0 112.299 -178.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.8 mmm . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 121.049 0.452 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -105.83 144.83 32.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.158 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' B' ' 17' ' ' THR . 21.3 m-85 -125.8 143.73 50.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.756 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.805 ' O ' HG23 ' A' ' 51' ' ' THR . 6.8 ttpm? -105.72 108.57 20.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.109 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.81 ' HB ' HG23 ' B' ' 16' ' ' THR . 51.2 t -94.84 131.96 40.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.335 0.588 . . . . 0.0 111.421 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.444 HG13 ' CG2' ' A' ' 51' ' ' THR . 67.1 mt -101.1 116.12 44.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.433 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.2 mt -94.89 89.84 5.79 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.588 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.7 t-20 -98.19 105.49 17.64 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.988 -178.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.507 ' HA2' ' OE1' ' A' ' 56' ' ' GLU . . . -113.89 -166.73 16.06 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.437 -0.887 . . . . 0.0 113.005 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.469 ' HG2' ' HG3' ' A' ' 56' ' ' GLU . 28.3 mmmt -71.97 -57.06 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 111.298 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.633 ' OG1' HG13 ' A' ' 29' ' ' VAL . 3.8 p -114.74 15.06 17.58 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.154 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.986 HD13 ' HB ' ' A' ' 18' ' ' THR . 32.7 tp -139.53 139.22 36.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.125 0.488 . . . . 0.0 111.262 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.463 ' H ' HD12 ' B' ' 12' ' ' LEU . 66.4 mttm -145.27 144.53 30.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.223 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.543 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.04 -169.8 39.4 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 119.971 -1.109 . . . . 0.0 113.398 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -145.34 136.76 25.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.047 0.451 . . . . 0.0 110.64 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.81 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.1 OUTLIER -131.57 168.19 18.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.008 -179.844 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.489 ' O ' HD12 ' A' ' 12' ' ' LEU . 66.5 p -143.44 118.48 10.05 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.964 ' HB ' HD13 ' A' ' 12' ' ' LEU . 10.4 t -107.44 143.54 35.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.303 178.281 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -106.68 112.8 25.94 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.642 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -143.4 153.08 42.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.216 0.531 . . . . 0.0 112.025 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -50.79 -25.97 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.814 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.538 ' OD1' HG23 ' B' ' 25' ' ' THR . 7.9 p-10 -157.93 174.86 14.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 111.649 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.427 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -58.1 -42.11 84.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.364 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.49 -54.04 45.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.189 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.834 ' O ' HG23 ' B' ' 29' ' ' VAL . 32.8 p -52.55 -44.69 65.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.465 ' HB1' ' CG2' ' B' ' 18' ' ' THR . . . -60.1 -53.29 59.49 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.068 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -51.0 -48.6 61.32 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.797 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -61.34 -44.45 97.18 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.029 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.834 HG23 ' O ' ' B' ' 25' ' ' THR . 78.2 t -55.4 -44.55 76.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.65 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.742 HG21 HG21 ' B' ' 5' ' ' VAL . 90.7 t -65.23 -47.44 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.445 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . 90.7 mttt -48.33 -49.02 35.8 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 120.955 0.407 . . . . 0.0 110.601 179.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.424 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 58.8 tt0 -66.63 -35.82 81.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.56 179.165 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.949 ' CG ' HD23 ' A' ' 12' ' ' LEU . 70.2 t80 -52.58 -51.55 59.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.905 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.432 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 26.3 m-85 -77.39 -37.03 52.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.361 178.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.557 ' ND2' HG22 ' A' ' 39' ' ' VAL . 27.7 t-20 -50.06 -39.78 43.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.559 0.695 . . . . 0.0 109.804 178.431 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.66 -24.25 17.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.955 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 88.8 m-20 -78.3 -46.16 20.86 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -3.77 -119.47 0.0 OUTLIER Glycine 0 CA--C 1.521 0.429 0 CA-C-N 114.475 -1.238 . . . . 0.0 116.086 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.562 HG22 ' ND2' ' A' ' 35' ' ' ASN . 59.0 t -85.53 -55.16 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -175.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -92.22 29.33 1.68 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -176.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.65 161.71 54.25 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 119.973 -1.108 . . . . 0.0 112.063 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -87.53 99.29 11.93 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.614 ' CH2' HG12 ' A' ' 30' ' ' VAL . 8.4 m0 -101.04 119.08 38.22 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -177.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 74.3 p -110.81 137.73 48.09 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.512 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 8.4 t80 -114.61 144.73 42.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 0.0 111.494 -178.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.655 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.2 t70 -123.49 84.38 2.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.434 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 17.6 m-20 -47.88 -33.96 8.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.376 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.655 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.11 -34.1 20.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.05 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 75.5 p -125.26 16.19 8.37 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' B' ' 50' ' ' LYS . 8.2 mmmt 48.79 35.55 6.63 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.734 0.302 . . . . 0.0 110.633 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.807 HG23 ' O ' ' A' ' 4' ' ' LYS . 96.1 m -125.28 142.0 51.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.084 0.468 . . . . 0.0 111.708 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.512 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 6.6 m-85 -107.63 139.15 42.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.392 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -116.24 125.72 52.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.198 0.523 . . . . 0.0 111.012 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.5 t -113.89 119.25 60.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.149 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.587 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 8.7 m -100.43 110.12 22.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.526 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.512 ' OE1' ' HA2' ' A' ' 9' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.142 -0.933 . . . . 0.0 112.268 -178.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.5 mmm . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.894 0.378 . . . . 0.0 111.432 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -108.81 146.17 34.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.134 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -130.48 147.51 52.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.696 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.507 ' O ' HG23 ' B' ' 51' ' ' THR . 7.1 ttpm? -104.29 112.43 25.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.755 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.606 ' HB ' HG23 ' A' ' 16' ' ' THR . 68.0 t -95.68 131.51 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.18 0.514 . . . . 0.0 110.024 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.705 HG22 ' OD1' ' A' ' 8' ' ' ASN . 57.8 mt -109.82 128.58 65.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.686 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.48 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 13.6 mt -107.64 96.05 6.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.733 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.712 ' O ' ' HA ' ' B' ' 55' ' ' THR . 3.3 m120 -105.75 111.1 23.63 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.932 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.08 -166.04 13.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.739 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -83.72 -55.97 3.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.029 0.442 . . . . 0.0 110.09 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.3 p -100.66 -2.66 32.1 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.242 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.989 HD13 ' HB ' ' B' ' 18' ' ' THR . 20.5 tp -136.84 135.55 38.0 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.053 0.454 . . . . 0.0 111.406 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.461 ' H ' HD12 ' A' ' 12' ' ' LEU . 50.3 mtmt -145.57 147.84 32.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.493 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.53 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.99 -170.76 42.05 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.007 -1.092 . . . . 0.0 113.537 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 51.4 mp0 -138.9 150.06 45.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.734 0.302 . . . . 0.0 110.522 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.743 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -151.18 169.01 22.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 -179.514 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 4' ' ' LYS . 64.3 p -143.59 122.28 12.59 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.988 ' HB ' HD13 ' B' ' 12' ' ' LEU . 14.9 t -111.37 146.06 37.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.918 178.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -107.06 117.83 35.09 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.703 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -148.4 150.49 33.62 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.126 0.488 . . . . 0.0 111.855 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.7 t -50.84 -24.49 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.952 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.428 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -160.33 176.3 11.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.838 0.351 . . . . 0.0 111.605 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.34 -41.81 90.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.51 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.22 -53.12 58.07 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.836 ' O ' HG23 ' A' ' 29' ' ' VAL . 59.1 p -53.23 -46.18 69.03 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.834 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -58.16 -51.86 67.96 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 2.7 tm-20 -53.03 -46.8 68.61 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.378 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -64.55 -49.57 70.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.409 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 25' ' ' THR . 67.3 t -54.59 -41.34 54.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.865 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 26' ' ' ALA . 65.3 t -62.02 -45.91 97.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.482 178.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 10.9 mmtm -49.41 -49.02 46.67 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.06 0.457 . . . . 0.0 110.147 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.401 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 35.5 tp60 -59.27 -39.7 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.197 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.862 ' CG ' HD23 ' B' ' 12' ' ' LEU . 40.2 t80 -51.82 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.972 179.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 28.1 m-85 -67.81 -38.86 83.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.019 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.575 HD22 HG22 ' B' ' 39' ' ' VAL . 25.4 t-20 -50.53 -37.96 42.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.471 0.653 . . . . 0.0 109.731 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.22 -23.88 17.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.31 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.441 ' O ' ' HA3' ' A' ' 41' ' ' GLY . 85.3 m-20 -82.22 -43.47 17.59 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.914 0.387 . . . . 0.0 110.237 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.452 ' HA2' ' CB ' ' B' ' 34' ' ' PHE . . . -13.91 -114.19 0.0 OUTLIER Glycine 0 CA--C 1.519 0.308 0 N-CA-C 116.663 1.425 . . . . 0.0 116.663 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.565 HG22 HD22 ' B' ' 35' ' ' ASN . 98.3 t -77.54 -55.52 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -176.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.35 24.92 3.63 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' A' ' 37' ' ' ASN . . . -63.31 141.95 46.67 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.124 -1.036 . . . . 0.0 112.256 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -87.79 103.16 15.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.7 0.286 . . . . 0.0 110.281 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.809 ' CD1' HG13 ' A' ' 54' ' ' VAL . 3.7 m0 -120.81 148.83 43.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.056 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.5 p -118.05 146.96 43.7 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 10.0 t80 -111.6 142.83 43.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.378 . . . . 0.0 111.716 -179.043 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -123.02 85.54 2.44 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.63 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.422 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 12.2 m-20 -46.61 -38.79 10.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.748 -179.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.89 -32.53 14.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.147 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.7 p -128.4 12.75 6.51 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 mttp 49.14 34.32 5.82 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.89 0.376 . . . . 0.0 110.545 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.509 HG23 ' O ' ' B' ' 4' ' ' LYS . 86.6 m -118.24 141.64 48.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.527 -179.203 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.1 m-85 -113.36 147.5 37.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.112 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -122.58 128.61 50.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.982 0.42 . . . . 0.0 110.998 178.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.809 HG13 ' CD1' ' A' ' 43' ' ' TRP . 67.9 t -104.07 104.46 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.325 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.711 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 25.0 m -100.68 118.14 36.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.406 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.913 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.865 0.364 . . . . 0.0 111.47 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -108.79 146.17 34.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.165 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -130.41 147.57 52.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.663 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.509 ' O ' HG23 ' A' ' 51' ' ' THR . 7.1 ttpm? -104.34 112.36 25.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.727 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.612 ' HB ' HG23 ' B' ' 16' ' ' THR . 67.5 t -95.57 131.58 41.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.156 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.701 HG22 ' OD1' ' B' ' 8' ' ' ASN . 57.9 mt -109.82 128.51 65.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.644 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 13.6 mt -107.61 96.21 6.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.68 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.711 ' O ' ' HA ' ' A' ' 55' ' ' THR . 3.3 m120 -105.88 111.04 23.54 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.931 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.06 -166.01 13.32 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.833 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -83.76 -55.79 4.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.136 0.493 . . . . 0.0 110.19 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 10.4 p -100.74 -2.7 31.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.316 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.988 HD13 ' HB ' ' A' ' 18' ' ' THR . 20.4 tp -136.83 135.6 38.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.064 0.459 . . . . 0.0 111.352 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.463 ' H ' HD12 ' B' ' 12' ' ' LEU . 50.5 mtmt -145.58 147.86 32.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.421 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.532 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.96 -170.82 42.15 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.064 -1.065 . . . . 0.0 113.625 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 51.4 mp0 -138.84 150.02 45.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.806 0.336 . . . . 0.0 110.541 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.748 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -151.09 169.09 22.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.919 -179.55 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.499 HG22 ' HA ' ' B' ' 4' ' ' LYS . 64.7 p -143.64 122.28 12.55 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.989 ' HB ' HD13 ' A' ' 12' ' ' LEU . 14.9 t -111.41 146.04 37.87 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.844 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -107.07 117.91 35.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.614 0.245 . . . . 0.0 110.354 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.701 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -148.36 150.55 33.77 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.13 0.49 . . . . 0.0 111.817 -179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 38.8 t -50.94 -24.57 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.894 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.429 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -160.25 176.35 11.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.8 0.333 . . . . 0.0 111.527 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.69 90.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.493 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.24 -53.09 58.46 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.837 ' O ' HG23 ' B' ' 29' ' ' VAL . 58.2 p -53.35 -46.07 69.38 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.839 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -58.2 -51.85 68.02 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 2.6 tm-20 -53.04 -46.73 68.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.509 178.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -64.56 -49.67 70.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.402 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.837 HG23 ' O ' ' B' ' 25' ' ' THR . 66.8 t -54.54 -41.19 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.921 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.839 HG23 ' O ' ' B' ' 26' ' ' ALA . 66.7 t -62.24 -45.72 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.453 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 10.9 mmtm -49.6 -48.99 48.53 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.92 0.391 . . . . 0.0 109.964 179.159 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.403 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 35.7 tp60 -59.31 -39.67 83.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.198 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.86 ' CG ' HD23 ' A' ' 12' ' ' LEU . 40.0 t80 -51.83 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.99 179.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.48 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 28.1 m-85 -67.86 -38.87 83.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.012 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.565 HD22 HG22 ' A' ' 39' ' ' VAL . 25.4 t-20 -50.6 -37.94 42.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.535 0.683 . . . . 0.0 109.759 178.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.19 -23.77 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.717 -1.129 . . . . 0.0 112.399 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.441 ' O ' ' HA3' ' B' ' 41' ' ' GLY . 85.6 m-20 -82.24 -43.47 17.56 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.941 0.401 . . . . 0.0 110.187 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.458 ' HA2' ' CB ' ' A' ' 34' ' ' PHE . . . -13.92 -114.16 0.0 OUTLIER Glycine 0 C--N 1.332 0.343 0 N-CA-C 116.687 1.435 . . . . 0.0 116.687 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.575 HG22 HD22 ' A' ' 35' ' ' ASN . 97.6 t -77.54 -55.65 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -176.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.28 24.88 3.61 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' B' ' 37' ' ' ASN . . . -63.3 141.9 46.61 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.104 -1.046 . . . . 0.0 112.36 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -87.68 103.2 15.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.656 0.265 . . . . 0.0 110.309 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.812 ' CD1' HG13 ' B' ' 54' ' ' VAL . 3.7 m0 -120.8 148.88 43.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.092 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -118.08 146.95 43.73 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 10.0 t80 -111.57 142.87 43.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 111.667 -179.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -122.98 85.38 2.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.646 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.42 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 12.2 m-20 -46.49 -38.86 9.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.713 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.97 -32.59 15.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 67.7 p -128.19 12.71 6.62 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 16.8 mttp 49.11 34.31 5.71 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.034 0.445 . . . . 0.0 110.606 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 4' ' ' LYS . 85.9 m -118.23 141.63 48.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.486 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.505 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.1 m-85 -113.25 147.55 37.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.122 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -122.6 128.64 50.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.997 0.427 . . . . 0.0 111.069 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.812 HG13 ' CD1' ' B' ' 43' ' ' TRP . 71.7 t -104.12 104.56 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.282 179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.712 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 25.3 m -100.71 118.11 36.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.422 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.821 -179.809 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.843 0.354 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -101.97 140.87 35.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.11 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.506 ' CD2' ' HB3' ' B' ' 50' ' ' LYS . 21.8 m-85 -124.88 143.69 50.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.662 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.676 ' O ' HG23 ' B' ' 51' ' ' THR . 87.8 tttt -109.79 111.75 23.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.547 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.87 HG21 HG21 ' A' ' 30' ' ' VAL . 57.5 t -94.98 134.83 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.102 0.477 . . . . 0.0 110.473 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.3 mt -107.16 122.73 61.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.865 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.497 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 18.8 mt -101.22 86.35 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.287 0.565 . . . . 0.0 109.817 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.64 ' O ' ' HA ' ' B' ' 55' ' ' THR . 32.7 t-20 -92.06 100.98 13.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.357 -178.147 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.0 153.92 16.69 Favored Glycine 0 N--CA 1.453 -0.168 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.009 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -54.3 -52.95 59.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.86 0.362 . . . . 0.0 111.616 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.626 ' HB ' HG11 ' B' ' 29' ' ' VAL . 10.4 p -96.64 -9.61 28.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.606 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.81 HD13 ' HB ' ' B' ' 18' ' ' THR . 12.0 tp -134.5 134.79 41.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.608 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.546 ' H ' HD12 ' A' ' 12' ' ' LEU . 36.8 mtmm -144.04 142.68 30.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.503 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.525 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.94 -166.77 35.48 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.27 -0.967 . . . . 0.0 113.265 -179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -147.97 143.76 27.52 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.32 0.581 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.774 HG23 ' HB ' ' A' ' 5' ' ' VAL . 4.7 t -138.97 169.23 18.17 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.168 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.0 p -143.33 121.3 12.05 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.809 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.1 t -110.85 146.6 36.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.459 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -107.63 120.17 41.48 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.711 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -149.22 152.23 35.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.218 0.532 . . . . 0.0 111.904 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.3 t -50.72 -26.08 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.749 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.637 ' OD1' HG23 ' A' ' 25' ' ' THR . 58.9 p30 -159.57 175.5 13.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 111.367 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.52 -41.62 81.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.688 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.09 -54.95 29.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.89 ' O ' HG23 ' A' ' 29' ' ' VAL . 41.8 p -51.53 -45.7 63.03 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.262 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.74 -53.06 62.42 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 8.9 tm-20 -52.81 -46.58 67.75 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.37 179.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -62.48 -46.23 89.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.033 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 25' ' ' THR . 57.6 t -58.06 -38.51 67.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.015 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.87 HG21 HG21 ' A' ' 5' ' ' VAL . 65.7 t -64.62 -47.81 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.778 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 3.7 mmmp? -49.62 -51.24 38.98 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.007 0.432 . . . . 0.0 110.096 178.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.417 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 31.0 tp60 -58.45 -38.58 77.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.02 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.652 ' CD2' HD23 ' B' ' 12' ' ' LEU . 24.4 t80 -51.14 -67.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.012 179.297 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 28.6 m-85 -65.09 -37.24 86.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.641 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.642 ' ND2' HG22 ' B' ' 39' ' ' VAL . 29.8 t-20 -52.12 -38.51 57.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.547 0.689 . . . . 0.0 109.638 178.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -94.23 -25.64 16.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.396 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 38' ' ' GLY . 84.8 m-20 -79.22 -42.59 25.63 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.074 0.464 . . . . 0.0 110.042 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -8.51 -115.51 0.0 OUTLIER Glycine 0 CA--C 1.52 0.401 0 CA-C-N 114.499 -1.228 . . . . 0.0 115.896 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.643 HG22 ' ND2' ' B' ' 35' ' ' ASN . 95.3 t -80.33 -55.49 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 -176.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.75 26.23 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.74 143.49 46.85 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.037 -1.078 . . . . 0.0 112.426 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -79.74 96.59 6.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.74 0.305 . . . . 0.0 110.295 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.783 ' CH2' ' HD2' ' B' ' 31' ' ' LYS . 6.6 m0 -110.14 134.73 51.9 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -178.591 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.0 p -111.54 141.48 45.06 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.498 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 19.3 t80 -111.38 144.42 40.61 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.267 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.478 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.2 t0 -123.77 81.91 1.96 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.011 178.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.23 -36.97 6.6 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.074 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.478 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.98 -31.99 14.03 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.5 p -128.75 12.96 6.36 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.504 ' HB3' ' CD2' ' B' ' 3' ' ' TYR . 3.8 mppt? 49.27 33.84 5.62 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.007 0.432 . . . . 0.0 110.707 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.676 HG23 ' O ' ' B' ' 4' ' ' LYS . 88.8 m -117.29 135.22 53.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.281 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 2.8 m-85 -108.27 148.69 29.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.962 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -121.28 112.79 19.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.225 0.536 . . . . 0.0 111.914 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.8 t -91.16 107.89 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.999 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.637 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 34.7 m -104.23 119.58 39.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.763 -178.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.152 -0.927 . . . . 0.0 110.892 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.839 0.352 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -101.89 140.96 35.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.105 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.504 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 21.3 m-85 -124.92 143.64 50.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.705 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.676 ' O ' HG23 ' A' ' 51' ' ' THR . 87.8 tttt -109.73 111.61 23.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.544 -178.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.889 HG21 HG21 ' B' ' 30' ' ' VAL . 57.5 t -94.96 134.91 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.141 0.496 . . . . 0.0 110.466 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 72.1 mt -107.24 122.63 61.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.818 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 18.6 mt -101.09 86.26 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.285 0.564 . . . . 0.0 109.904 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.637 ' O ' ' HA ' ' A' ' 55' ' ' THR . 32.7 t-20 -92.1 101.17 13.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.255 -178.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.23 153.85 16.7 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.97 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -54.13 -53.16 57.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 111.561 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.619 ' HB ' HG11 ' A' ' 29' ' ' VAL . 10.7 p -96.49 -9.6 29.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.66 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.809 HD13 ' HB ' ' A' ' 18' ' ' THR . 11.8 tp -134.54 134.95 41.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.499 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.542 ' H ' HD12 ' B' ' 12' ' ' LEU . 36.8 mtmm -144.07 142.65 30.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.536 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.526 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.93 -166.79 35.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.234 -0.984 . . . . 0.0 113.162 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -147.93 143.77 27.57 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.244 0.545 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.774 ' OG1' HD11 ' A' ' 12' ' ' LEU . 4.8 t -138.97 169.24 18.15 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.146 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 68.7 p -143.29 121.22 12.02 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.81 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.1 t -110.81 146.53 36.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.35 178.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -107.6 120.15 41.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.706 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -149.23 152.12 35.43 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.249 0.547 . . . . 0.0 111.891 -179.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -50.55 -26.12 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.809 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.631 ' OD1' HG23 ' B' ' 25' ' ' THR . 58.9 p30 -159.54 175.5 13.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.946 0.403 . . . . 0.0 111.449 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.46 -41.69 81.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.754 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.97 -54.93 30.66 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.892 ' O ' HG23 ' B' ' 29' ' ' VAL . 41.7 p -51.52 -45.72 63.01 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.657 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.78 -53.11 61.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 8.9 tm-20 -52.75 -46.49 67.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.414 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -62.62 -46.26 89.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.931 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.892 HG23 ' O ' ' B' ' 25' ' ' THR . 57.6 t -58.02 -38.57 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.016 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.889 HG21 HG21 ' B' ' 5' ' ' VAL . 66.0 t -64.6 -47.79 87.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.783 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 3.7 mmmp? -49.62 -51.4 37.89 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.022 0.439 . . . . 0.0 110.067 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.419 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 30.9 tp60 -58.41 -38.39 77.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.078 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.653 ' CD2' HD23 ' A' ' 12' ' ' LEU . 24.5 t80 -51.34 -67.89 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.928 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.459 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 28.5 m-85 -65.07 -37.25 86.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.652 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.643 ' ND2' HG22 ' A' ' 39' ' ' VAL . 29.8 t-20 -52.06 -38.58 57.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.512 0.672 . . . . 0.0 109.546 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -94.3 -25.45 17.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.781 -1.099 . . . . 0.0 112.452 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' B' ' 38' ' ' GLY . 84.7 m-20 -79.33 -42.5 25.56 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.099 0.476 . . . . 0.0 110.087 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -8.68 -115.25 0.0 OUTLIER Glycine 0 CA--C 1.52 0.378 0 CA-C-N 114.506 -1.224 . . . . 0.0 116.029 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.642 HG22 ' ND2' ' A' ' 35' ' ' ASN . 96.6 t -80.52 -55.48 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 -176.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.73 26.1 2.85 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -177.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.63 143.29 46.67 Favored Glycine 0 CA--C 1.522 0.511 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.413 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -79.51 96.54 6.13 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.747 0.308 . . . . 0.0 110.371 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.778 ' CH2' ' HD2' ' A' ' 31' ' ' LYS . 6.7 m0 -110.16 134.79 51.84 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.536 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.403 ' OG1' ' OG1' ' B' ' 53' ' ' THR . 68.6 p -111.52 141.65 44.81 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.501 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 19.2 t80 -111.52 144.35 40.89 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.479 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.3 t0 -123.6 81.77 1.94 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.065 178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.09 -37.07 6.37 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.113 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.479 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.84 -32.07 13.37 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.6 p -128.64 12.77 6.39 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 3.8 mppt? 49.22 34.08 5.75 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.063 0.459 . . . . 0.0 110.592 -179.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 4' ' ' LYS . 88.5 m -117.34 135.28 53.96 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.269 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.501 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 2.8 m-85 -108.38 148.76 29.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.911 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.403 ' OG1' ' OG1' ' B' ' 44' ' ' THR . 3.1 p -121.26 112.64 18.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.247 0.546 . . . . 0.0 111.965 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.7 t -91.08 107.88 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.975 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.64 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 35.3 m -104.22 119.71 39.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.668 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.946 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.1 mtp . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -107.75 145.22 33.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.155 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.44 ' CE2' ' HD2' ' B' ' 50' ' ' LYS . 2.6 m-85 -128.95 148.3 50.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.842 0.353 . . . . 0.0 111.007 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.788 ' O ' HG23 ' B' ' 51' ' ' THR . 4.8 ttmp? -106.81 109.2 21.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.643 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.712 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.6 t -94.54 129.21 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.264 0.554 . . . . 0.0 111.344 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.42 HG13 ' CG2' ' B' ' 51' ' ' THR . 76.5 mt -100.8 116.33 44.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.361 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.452 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.8 mt -95.06 85.48 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.792 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.618 ' O ' ' HA ' ' B' ' 55' ' ' THR . 33.7 t-20 -96.8 107.25 19.7 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.736 -178.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.79 -165.92 14.58 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.359 -0.924 . . . . 0.0 112.621 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -75.35 -58.12 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.422 ' OG1' HG13 ' B' ' 29' ' ' VAL . 11.5 p -109.66 10.32 24.91 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.228 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.014 HD13 ' HB ' ' B' ' 18' ' ' THR . 24.4 tp -138.44 138.93 38.61 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.061 0.458 . . . . 0.0 111.457 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.503 ' H ' HD12 ' A' ' 12' ' ' LEU . 36.0 mtmm -145.29 145.43 31.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.473 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.46 -173.42 43.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.151 -1.023 . . . . 0.0 113.305 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -141.25 136.67 31.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.9 0.381 . . . . 0.0 110.459 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.787 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -134.9 167.66 20.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.103 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.462 HG22 ' HA ' ' A' ' 4' ' ' LYS . 58.6 p -143.54 118.68 10.11 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -178.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.006 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.4 t -107.87 146.28 32.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.708 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -105.3 116.0 31.21 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.62 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -146.81 149.45 33.35 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.188 0.518 . . . . 0.0 111.956 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.12 -36.51 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.15 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.659 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -145.15 171.99 13.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.856 0.36 . . . . 0.0 111.282 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.8 86.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.652 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.51 -54.23 43.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.086 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.888 ' O ' HG23 ' A' ' 29' ' ' VAL . 75.6 p -52.0 -46.11 64.79 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.33 -53.03 62.86 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.212 178.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -51.35 -46.89 62.85 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.218 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -63.39 -46.9 84.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.9 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 25' ' ' THR . 92.5 t -55.1 -43.43 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.133 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 26' ' ' ALA . 40.9 t -64.53 -47.35 89.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 57.9 mtpt -51.76 -46.13 63.98 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.061 178.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' NE2' ' OD2' ' A' ' 36' ' ' ASP . 35.7 tp60 -59.85 -38.65 82.7 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.948 ' CG ' HD23 ' B' ' 12' ' ' LEU . 60.8 t80 -52.59 -65.52 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.927 178.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.445 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 27.7 m-85 -65.45 -38.22 89.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.565 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.445 ' ND2' HG21 ' B' ' 39' ' ' VAL . 31.6 t-20 -52.04 -38.43 56.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.487 0.66 . . . . 0.0 109.949 178.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.456 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 58.3 m-20 -94.04 -23.35 18.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.865 -1.062 . . . . 0.0 112.333 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.465 ' O ' ' C ' ' A' ' 38' ' ' GLY . 23.6 m120 -82.36 -46.36 13.67 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.534 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -9.23 -111.55 0.0 OUTLIER Glycine 0 CA--C 1.521 0.449 0 N-CA-C 115.631 1.013 . . . . 0.0 115.631 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 39' ' ' VAL . 19.7 t -110.39 5.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -176.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -125.15 10.79 8.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 118.568 0.622 . . . . 0.0 111.873 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.49 171.48 54.1 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.181 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -97.72 102.21 13.92 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.62 ' HH2' HG12 ' B' ' 30' ' ' VAL . 9.1 m95 -97.9 119.68 36.94 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.264 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.9 p -109.54 137.77 46.89 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.5 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 18.5 t80 -111.22 144.35 40.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.076 0.465 . . . . 0.0 111.946 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -123.58 81.7 1.93 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.283 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.92 -35.3 10.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.718 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.94 -33.45 17.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.972 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.9 p -128.29 12.25 6.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.681 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HD2' ' CE2' ' B' ' 3' ' ' TYR . 20.4 mtmt 52.81 31.69 11.01 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.802 0.334 . . . . 0.0 110.728 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.787 HG23 ' O ' ' B' ' 4' ' ' LYS . 93.6 m -117.49 140.52 49.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.088 0.471 . . . . 0.0 112.086 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.8 m-85 -110.33 142.45 41.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.068 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -117.45 101.56 8.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.186 0.517 . . . . 0.0 111.726 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.0 t -82.82 106.96 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.82 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.618 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 18.9 m -97.78 111.24 23.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.361 -179.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.456 ' HG2' ' HB2' ' A' ' 36' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.298 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 82.1 mtp . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.917 0.389 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -107.87 145.24 33.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.099 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.443 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 2.5 m-85 -128.87 148.26 50.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.836 0.35 . . . . 0.0 111.098 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.787 ' O ' HG23 ' A' ' 51' ' ' THR . 4.8 ttmp? -106.68 109.24 21.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.755 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.716 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.4 t -94.7 129.26 45.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.287 0.565 . . . . 0.0 111.269 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.423 HG13 ' CG2' ' A' ' 51' ' ' THR . 76.4 mt -100.81 116.39 44.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.244 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.7 mt -94.99 85.3 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.909 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.618 ' O ' ' HA ' ' A' ' 55' ' ' THR . 33.7 t-20 -96.73 107.18 19.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.774 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.74 -165.94 14.61 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.394 -0.908 . . . . 0.0 112.71 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -75.39 -58.14 3.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.822 0.344 . . . . 0.0 111.066 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.424 ' OG1' HG13 ' A' ' 29' ' ' VAL . 11.4 p -109.63 10.22 24.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 1.006 HD13 ' HB ' ' A' ' 18' ' ' THR . 24.1 tp -138.41 138.8 38.56 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.069 0.461 . . . . 0.0 111.464 -179.139 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.5 ' H ' HD12 ' B' ' 12' ' ' LEU . 36.0 mtmm -145.29 145.37 31.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.463 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.488 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.45 -173.49 43.87 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.109 -1.043 . . . . 0.0 113.24 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -141.11 136.63 32.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.853 0.359 . . . . 0.0 110.515 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.785 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -134.76 167.66 20.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.079 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.461 HG22 ' HA ' ' B' ' 4' ' ' LYS . 60.0 p -143.59 118.67 10.07 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' THR . . . . . 1.014 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.4 t -107.81 146.31 32.41 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.588 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -105.4 116.17 31.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -146.98 149.42 33.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.231 0.539 . . . . 0.0 111.911 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.14 -36.47 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.366 -0.833 . . . . 0.0 112.129 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.662 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -145.25 172.0 13.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.8 0.333 . . . . 0.0 111.199 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.19 -42.77 86.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.582 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.58 -54.26 42.31 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.889 ' O ' HG23 ' B' ' 29' ' ' VAL . 75.8 p -52.0 -46.01 64.74 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.667 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.28 -52.97 63.39 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.353 177.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -51.39 -47.08 63.02 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.15 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -63.12 -46.91 85.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.95 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.889 HG23 ' O ' ' B' ' 25' ' ' THR . 93.1 t -55.25 -43.16 69.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.307 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.667 HG23 ' O ' ' B' ' 26' ' ' ALA . 41.2 t -64.64 -47.37 89.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 58.1 mtpt -51.83 -46.05 64.18 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.136 178.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.448 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 35.7 tp60 -59.79 -38.72 82.71 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.947 ' CG ' HD23 ' A' ' 12' ' ' LEU . 60.6 t80 -52.45 -65.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.913 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.445 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 27.8 m-85 -65.5 -38.23 89.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.584 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.435 ' ND2' HG21 ' A' ' 39' ' ' VAL . 31.6 t-20 -52.02 -38.48 57.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.431 0.634 . . . . 0.0 109.797 178.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.465 ' HB2' ' HG2' ' B' ' 56' ' ' GLU . 58.0 m-20 -94.04 -23.37 18.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.91 -1.041 . . . . 0.0 112.3 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.469 ' O ' ' C ' ' B' ' 38' ' ' GLY . 23.5 m120 -82.19 -46.45 13.74 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.964 0.412 . . . . 0.0 110.557 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -9.26 -111.72 0.0 OUTLIER Glycine 0 CA--C 1.522 0.472 0 N-CA-C 115.709 1.043 . . . . 0.0 115.709 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.632 HG12 ' O ' ' B' ' 39' ' ' VAL . 19.0 t -110.19 5.4 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -176.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -125.27 11.03 8.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 118.651 0.659 . . . . 0.0 111.83 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.91 171.59 53.87 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.555 -0.831 . . . . 0.0 113.197 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -97.76 102.09 13.76 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.619 ' HH2' HG12 ' A' ' 30' ' ' VAL . 9.1 m95 -97.87 119.43 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -178.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 75.1 p -109.37 137.86 46.61 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.5 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 18.4 t80 -111.25 144.25 40.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.088 0.47 . . . . 0.0 111.862 -178.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -123.5 81.65 1.92 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.293 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.8 -35.46 10.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.712 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.85 -33.53 17.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.933 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.9 p -128.23 12.28 6.54 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.44 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 20.3 mtmt 52.68 31.79 10.88 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.787 0.327 . . . . 0.0 110.686 -179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.788 HG23 ' O ' ' A' ' 4' ' ' LYS . 94.1 m -117.59 140.5 49.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.208 0.528 . . . . 0.0 111.976 -178.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.8 m-85 -110.31 142.42 41.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.137 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -117.46 101.6 8.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.133 0.492 . . . . 0.0 111.801 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.8 106.83 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.874 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.618 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 18.0 m -97.52 111.16 23.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.482 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.465 ' HG2' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.305 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.848 0.356 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -106.93 139.86 40.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.594 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.479 ' CE2' ' HE2' ' B' ' 50' ' ' LYS . 10.1 m-85 -126.82 152.71 46.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.974 0.416 . . . . 0.0 111.032 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' B' ' 51' ' ' THR . 17.6 tppt? -98.59 128.95 45.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.569 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.732 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.9 t -119.04 119.02 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.492 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.559 ' HB ' HG22 ' B' ' 53' ' ' THR . 63.4 mt -102.72 124.51 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.131 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.468 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 17.4 mt -106.21 94.57 5.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.39 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.617 ' O ' ' HA ' ' B' ' 55' ' ' THR . 30.1 m120 -103.29 108.85 20.24 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.34 -0.391 . . . . 0.0 112.027 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.05 -165.64 14.36 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.234 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -78.28 -57.51 3.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.887 0.375 . . . . 0.0 111.001 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.55 ' OG1' HG13 ' B' ' 29' ' ' VAL . 7.7 p -106.61 7.25 30.57 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.572 -178.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.986 HD13 ' HB ' ' B' ' 18' ' ' THR . 22.4 tp -136.2 135.45 39.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.047 0.451 . . . . 0.0 111.45 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' H ' HD12 ' A' ' 12' ' ' LEU . 46.2 mmtm -137.9 137.9 38.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.033 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -173.84 -176.12 42.04 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 119.821 -1.18 . . . . 0.0 113.641 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -143.33 141.85 31.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.886 0.374 . . . . 0.0 110.497 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.732 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -141.64 168.87 18.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.01 -179.437 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.544 ' O ' HD12 ' B' ' 12' ' ' LEU . 70.2 p -143.74 122.85 12.88 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -179.072 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.988 ' HB ' HD13 ' B' ' 12' ' ' LEU . 10.8 t -109.45 146.36 34.65 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.144 179.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -106.1 117.17 33.35 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -148.56 149.57 31.81 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.212 0.529 . . . . 0.0 111.954 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -51.18 -36.51 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.141 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.562 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -146.18 172.68 13.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.818 0.342 . . . . 0.0 111.341 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.03 -43.17 86.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.572 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.22 -54.74 36.63 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.852 ' O ' HG23 ' A' ' 29' ' ' VAL . 77.6 p -52.4 -45.8 66.04 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.28 -53.39 58.84 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.09 178.006 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -49.37 -48.33 46.93 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.277 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.35 -46.71 87.44 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.077 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 25' ' ' THR . 89.0 t -55.2 -43.38 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.351 179.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.613 HG12 ' CH2' ' B' ' 43' ' ' TRP . 60.5 t -65.87 -49.31 77.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HA ' ' CH2' ' B' ' 43' ' ' TRP . 50.4 mtpt -53.88 -43.81 69.93 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.443 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -60.93 -37.8 83.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.431 0.634 . . . . 0.0 109.368 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.935 ' CG ' HD23 ' B' ' 12' ' ' LEU . 53.5 t80 -52.99 -64.29 0.87 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.851 179.064 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -67.73 -39.69 84.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.066 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.699 ' ND2' HG22 ' B' ' 39' ' ' VAL . 31.0 t-20 -51.31 -39.01 56.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.577 0.703 . . . . 0.0 109.756 178.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.409 ' CB ' ' OE2' ' A' ' 56' ' ' GLU . 1.3 m-20 -94.68 -25.59 16.66 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.637 -1.165 . . . . 0.0 112.727 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.505 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.0 m-20 -77.21 -39.24 49.4 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.983 0.42 . . . . 0.0 110.091 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.39 -116.88 0.0 OUTLIER Glycine 0 CA--C 1.521 0.466 0 CA-C-N 114.614 -1.175 . . . . 0.0 115.725 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.705 HG22 ' ND2' ' B' ' 35' ' ' ASN . 60.4 t -83.54 -55.64 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 -175.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -88.8 25.7 1.7 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -176.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.19 149.1 51.68 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 119.918 -1.134 . . . . 0.0 112.052 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -78.04 91.65 4.28 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.886 0.343 . . . . 0.0 110.274 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.611 ' CH2' HG12 ' B' ' 30' ' ' VAL . 8.6 m0 -101.57 125.04 48.16 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.6 p -107.82 139.95 41.65 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 13.0 t80 -112.67 141.04 46.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.111 0.481 . . . . 0.0 111.904 -178.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.402 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.9 t0 -123.61 82.92 2.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.267 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.05 -37.09 19.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.339 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -54.29 -32.49 56.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.54 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.8 p -115.5 7.76 15.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.672 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.481 ' HE2' ' CE2' ' B' ' 3' ' ' TYR . 11.9 mmmm 49.28 33.2 4.98 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.77 0.319 . . . . 0.0 110.715 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 90.9 m -125.18 153.55 42.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.147 0.499 . . . . 0.0 111.908 -178.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 1.9 m-85 -121.68 143.96 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.901 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.57 HG22 ' HB ' ' B' ' 6' ' ' ILE . 3.0 p -122.42 128.53 51.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.118 0.485 . . . . 0.0 111.577 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.9 t -103.68 104.17 16.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.678 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.617 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 26.5 m -95.43 112.2 23.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.988 -178.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' OE2' ' CB ' ' A' ' 36' ' ' ASP . 16.8 tp10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.111 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.726 0.298 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -106.89 139.88 40.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.607 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.481 ' CE2' ' HE2' ' A' ' 50' ' ' LYS . 10.0 m-85 -126.75 152.75 46.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.973 0.416 . . . . 0.0 111.086 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 51' ' ' THR . 17.6 tppt? -98.64 129.13 45.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.598 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.727 ' HB ' HG23 ' B' ' 16' ' ' THR . 62.1 t -119.17 118.99 59.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.481 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.57 ' HB ' HG22 ' A' ' 53' ' ' THR . 63.8 mt -102.62 124.37 56.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.283 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 17.5 mt -106.09 94.62 5.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.386 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.617 ' O ' ' HA ' ' A' ' 55' ' ' THR . 30.0 m120 -103.42 108.96 20.41 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.966 -179.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.92 -165.69 14.44 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.282 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -78.37 -57.37 3.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.851 0.358 . . . . 0.0 111.083 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.551 ' OG1' HG13 ' A' ' 29' ' ' VAL . 7.7 p -106.59 7.27 30.63 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.561 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.988 HD13 ' HB ' ' A' ' 18' ' ' THR . 22.8 tp -136.19 135.49 39.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.084 0.468 . . . . 0.0 111.488 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.437 ' H ' HD12 ' B' ' 12' ' ' LEU . 46.2 mmtm -137.92 137.88 38.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.015 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.452 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -173.86 -176.16 42.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 119.932 -1.128 . . . . 0.0 113.691 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -143.24 141.94 31.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.881 0.372 . . . . 0.0 110.488 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.727 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -141.7 168.84 18.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.987 -179.454 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.55 ' O ' HD12 ' A' ' 12' ' ' LEU . 70.7 p -143.78 122.97 12.95 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.986 ' HB ' HD13 ' A' ' 12' ' ' LEU . 10.7 t -109.55 146.26 34.96 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.102 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -106.0 117.15 33.29 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.625 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -148.48 149.62 31.98 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.233 0.54 . . . . 0.0 111.974 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -51.09 -36.56 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.166 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.564 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -146.21 172.7 13.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.818 0.342 . . . . 0.0 111.346 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.1 -43.1 86.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.528 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.11 -54.86 35.23 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.854 ' O ' HG23 ' B' ' 29' ' ' VAL . 77.1 p -52.42 -45.85 66.12 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.625 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -59.18 -53.34 59.38 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.194 177.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -49.37 -48.35 46.93 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.223 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.42 -46.64 87.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.121 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.854 HG23 ' O ' ' B' ' 25' ' ' THR . 89.0 t -55.29 -43.42 71.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.264 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.611 HG12 ' CH2' ' A' ' 43' ' ' TRP . 61.2 t -65.87 -49.28 78.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.437 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . 50.4 mtpt -53.7 -43.93 69.38 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.46 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 35.8 tp60 -60.97 -37.87 83.93 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.937 ' CG ' HD23 ' A' ' 12' ' ' LEU . 53.2 t80 -52.83 -64.41 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.897 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -67.59 -39.82 84.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.132 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.705 ' ND2' HG22 ' A' ' 39' ' ' VAL . 30.9 t-20 -51.32 -38.92 55.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.596 0.712 . . . . 0.0 109.759 178.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.41 ' CB ' ' OE2' ' B' ' 56' ' ' GLU . 1.3 m-20 -94.67 -25.69 16.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.626 -1.17 . . . . 0.0 112.714 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' B' ' 38' ' ' GLY . 21.9 m120 -77.13 -39.27 49.92 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.03 0.443 . . . . 0.0 110.213 179.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.35 -116.77 0.0 OUTLIER Glycine 0 CA--C 1.521 0.461 0 CA-C-N 114.504 -1.226 . . . . 0.0 115.829 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.699 HG22 ' ND2' ' A' ' 35' ' ' ASN . 61.7 t -83.79 -55.57 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 -175.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -88.73 25.71 1.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.42 149.2 51.61 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 119.722 -1.227 . . . . 0.0 112.044 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -78.03 91.64 4.28 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.798 0.299 . . . . 0.0 110.353 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.613 ' CH2' HG12 ' A' ' 30' ' ' VAL . 8.7 m0 -101.53 125.12 48.13 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 72.2 p -107.77 139.98 41.52 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 12.9 t80 -112.7 141.07 46.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.042 0.449 . . . . 0.0 111.944 -178.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.401 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.9 t0 -123.66 82.98 2.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.158 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.99 -37.16 19.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.37 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.401 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -54.31 -32.48 56.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.566 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 77.2 p -115.44 7.67 15.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.678 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.479 ' HE2' ' CE2' ' A' ' 3' ' ' TYR . 11.9 mmmm 49.35 33.13 5.04 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.769 0.319 . . . . 0.0 110.751 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 91.0 m -125.18 153.51 42.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.173 0.511 . . . . 0.0 111.824 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 2.0 m-85 -121.66 143.91 49.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.917 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.559 HG22 ' HB ' ' A' ' 6' ' ' ILE . 3.0 p -122.36 128.52 51.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.116 0.484 . . . . 0.0 111.607 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.4 HG12 ' ND2' ' B' ' 37' ' ' ASN . 60.6 t -103.61 104.14 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.759 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.617 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 26.7 m -95.41 112.28 24.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.983 0.421 . . . . 0.0 111.959 -178.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.41 ' OE2' ' CB ' ' B' ' 36' ' ' ASP . 16.7 tp10 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.114 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.734 0.302 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -105.47 139.6 39.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.426 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.416 ' CE2' ' HE3' ' B' ' 50' ' ' LYS . 23.0 m-85 -123.59 145.06 49.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.762 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.775 ' O ' HG23 ' B' ' 51' ' ' THR . 53.6 tptt -102.08 103.59 14.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.169 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.645 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.1 t -94.39 124.01 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.328 0.585 . . . . 0.0 111.502 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.466 ' CD1' HG21 ' B' ' 51' ' ' THR . 73.4 mt -101.9 129.21 53.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.776 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mt -108.95 83.47 1.76 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.302 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.545 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.9 m120 -90.23 111.06 22.1 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.07 -168.95 14.89 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.127 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.476 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.3 mtmp? -82.08 -58.11 3.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.99 0.424 . . . . 0.0 110.435 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.432 ' OG1' HG13 ' B' ' 29' ' ' VAL . 6.8 p -100.22 0.04 39.6 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.641 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.989 HD13 ' HB ' ' B' ' 18' ' ' THR . 16.3 tp -137.53 137.67 38.85 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.534 ' H ' HD12 ' A' ' 12' ' ' LEU . 35.8 mtmm -144.97 144.74 31.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.902 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.543 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.4 -167.24 37.13 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 119.816 -1.183 . . . . 0.0 113.323 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.483 ' HB3' ' HE3' ' A' ' 4' ' ' LYS . 40.0 mt-10 -148.59 155.3 40.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 110.63 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.743 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -150.96 169.07 22.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.814 -179.67 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 4' ' ' LYS . 54.8 p -143.08 118.65 10.39 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.988 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.9 t -106.18 143.22 34.62 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.571 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -104.28 114.91 29.47 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.16 152.63 36.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.349 0.595 . . . . 0.0 112.145 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.5 t -51.06 -37.63 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.088 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.677 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -143.84 169.25 18.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.062 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.555 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -56.56 -41.72 77.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.569 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.01 -54.71 34.06 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.845 ' O ' HG23 ' A' ' 29' ' ' VAL . 74.4 p -52.47 -46.22 66.43 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.667 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -60.14 -52.13 66.63 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.136 178.101 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 89.3 tt0 -52.76 -48.74 66.57 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.712 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -57.67 -38.62 75.44 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.517 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.845 HG23 ' O ' ' A' ' 25' ' ' THR . 91.0 t -59.71 -37.27 70.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.407 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.522 HG12 ' HH2' ' B' ' 43' ' ' TRP . 20.6 t -66.21 -48.9 79.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.479 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.448 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 1.1 mptm? -48.05 -42.84 29.58 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.113 0.482 . . . . 0.0 110.131 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -69.42 -37.86 77.64 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.91 ' CG ' HD23 ' B' ' 12' ' ' LEU . 47.3 t80 -55.26 -56.77 16.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.242 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.467 ' CE2' HG12 ' A' ' 30' ' ' VAL . 25.1 m-85 -72.62 -42.27 64.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.575 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.569 HD22 HG21 ' B' ' 39' ' ' VAL . 14.8 t-20 -48.88 -38.16 21.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.502 0.667 . . . . 0.0 110.11 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.52 -23.32 17.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.596 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.458 ' O ' ' C ' ' A' ' 38' ' ' GLY . 88.1 m-20 -78.34 -46.67 19.47 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -3.98 -121.88 0.0 OUTLIER Glycine 0 C--N 1.333 0.373 0 CA-C-N 114.734 -1.121 . . . . 0.0 115.657 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 39' ' ' VAL . 43.5 t -111.66 4.08 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -176.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -125.0 13.75 8.45 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.872 -0.518 . . . . 0.0 112.215 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.45 178.62 51.6 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.911 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -97.28 100.97 12.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.818 0.342 . . . . 0.0 110.313 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.533 ' HH2' HG12 ' B' ' 30' ' ' VAL . 7.8 m0 -97.24 118.61 34.06 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.3 p -104.25 132.2 50.75 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 9.1 t80 -107.67 143.97 35.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 0.0 111.393 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -122.96 83.67 2.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.429 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 12.8 m-20 -47.62 -37.88 13.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.61 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.59 -32.12 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.139 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.4 p -128.24 15.12 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HE3' ' CE2' ' B' ' 3' ' ' TYR . 31.8 mmmt 49.06 34.13 5.42 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.979 0.418 . . . . 0.0 110.056 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.779 HG23 ' O ' ' B' ' 4' ' ' LYS . 86.7 m -113.19 141.7 46.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.836 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.552 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 96.7 m-85 -106.24 120.48 41.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.39 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -106.05 127.32 53.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.228 0.537 . . . . 0.0 111.624 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.6 t -113.97 112.77 41.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.488 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.548 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 10.0 m -99.67 113.88 26.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.023 0.44 . . . . 0.0 111.549 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.224 -0.893 . . . . 0.0 111.127 179.77 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.925 0.393 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -105.54 139.47 40.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.38 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.413 ' CE2' ' HE3' ' A' ' 50' ' ' LYS . 22.5 m-85 -123.44 145.08 49.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.901 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.779 ' O ' HG23 ' A' ' 51' ' ' THR . 53.6 tptt -102.22 103.63 14.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.084 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.643 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.5 t -94.27 124.05 46.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.292 0.567 . . . . 0.0 111.579 -179.334 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.464 ' CD1' HG21 ' A' ' 51' ' ' THR . 73.4 mt -101.97 129.2 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.728 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mt -108.92 83.56 1.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.355 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.548 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.8 m120 -90.31 111.17 22.27 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.03 -168.93 14.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.147 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.475 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.3 mtmp? -82.14 -58.05 3.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.004 0.431 . . . . 0.0 110.518 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.428 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 6.9 p -100.2 0.0 39.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.655 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.988 HD13 ' HB ' ' A' ' 18' ' ' THR . 16.3 tp -137.48 137.73 38.99 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.537 ' H ' HD12 ' B' ' 12' ' ' LEU . 35.8 mtmm -145.04 144.68 31.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.911 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.536 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.34 -167.3 37.26 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 119.868 -1.158 . . . . 0.0 113.347 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.472 ' HB3' ' HE3' ' B' ' 4' ' ' LYS . 40.1 mt-10 -148.54 155.36 41.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.033 0.444 . . . . 0.0 110.557 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.735 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -151.09 169.08 22.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.692 -179.717 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.486 HG22 ' HA ' ' B' ' 4' ' ' LYS . 56.5 p -143.01 118.55 10.37 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -178.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.989 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.9 t -106.12 143.21 34.57 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.646 178.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -104.25 114.86 29.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.508 0.194 . . . . 0.0 110.537 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -149.09 152.61 36.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.387 0.613 . . . . 0.0 112.169 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 20.7 t -51.09 -37.57 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.029 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.679 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -143.92 169.28 18.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.552 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -56.58 -41.76 77.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.632 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.93 -54.57 36.53 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.846 ' O ' HG23 ' B' ' 29' ' ' VAL . 75.4 p -52.51 -46.08 66.51 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -60.33 -52.06 66.88 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.44 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 89.3 tt0 -52.69 -48.71 66.36 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -57.71 -38.74 75.78 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.48 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.846 HG23 ' O ' ' B' ' 25' ' ' THR . 90.6 t -59.66 -37.22 69.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.37 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.533 HG12 ' HH2' ' A' ' 43' ' ' TRP . 20.5 t -66.17 -48.9 79.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.45 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 1.1 mptm? -48.13 -42.8 30.24 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.954 0.407 . . . . 0.0 110.068 178.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -69.41 -37.76 77.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.909 ' CG ' HD23 ' A' ' 12' ' ' LEU . 47.0 t80 -55.19 -56.91 14.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.199 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.464 ' CE2' HG12 ' B' ' 30' ' ' VAL . 25.0 m-85 -72.65 -42.25 64.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.595 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.57 HD22 HG21 ' A' ' 39' ' ' VAL . 14.8 t-20 -48.84 -38.16 21.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.392 0.615 . . . . 0.0 110.031 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.62 -23.28 17.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.93 -1.032 . . . . 0.0 112.572 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.462 ' O ' ' C ' ' B' ' 38' ' ' GLY . 88.0 m-20 -78.49 -46.39 19.75 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.11 -121.82 0.0 OUTLIER Glycine 0 C--N 1.333 0.373 0 CA-C-N 114.773 -1.103 . . . . 0.0 115.704 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.664 HG12 ' O ' ' B' ' 39' ' ' VAL . 43.7 t -111.75 4.11 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -176.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -125.07 13.71 8.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.849 -0.532 . . . . 0.0 112.13 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.41 178.68 51.64 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.978 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -97.35 101.06 12.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.867 0.365 . . . . 0.0 110.233 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.522 ' HH2' HG12 ' A' ' 30' ' ' VAL . 7.9 m0 -97.42 118.65 34.37 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -178.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 60.0 p -104.3 132.17 50.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.56 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.515 ' CD1' ' CD1' ' B' ' 52' ' ' PHE . 9.2 t80 -107.66 144.13 35.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.902 0.382 . . . . 0.0 111.239 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -123.11 83.68 2.16 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 12.9 m-20 -47.77 -37.71 14.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.556 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.74 -32.0 12.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.143 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.0 p -128.28 15.07 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.416 ' HE3' ' CE2' ' A' ' 3' ' ' TYR . 31.8 mmmt 48.92 34.25 5.28 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.072 0.463 . . . . 0.0 110.039 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.775 HG23 ' O ' ' A' ' 4' ' ' LYS . 87.5 m -113.22 141.69 46.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.799 -178.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.555 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 96.8 m-85 -106.16 120.35 41.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.487 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -106.07 127.3 53.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.309 0.576 . . . . 0.0 111.688 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.9 t -113.85 112.71 41.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.515 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 10.3 m -99.67 113.88 26.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.999 0.428 . . . . 0.0 111.574 -178.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.071 179.797 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.401 ' HG2' ' N ' ' A' ' 2' ' ' GLN . 27.7 ttt . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.83 0.347 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.401 ' N ' ' HG2' ' A' ' 1' ' ' MET . 8.3 tt0 -106.0 144.0 33.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.285 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -132.38 148.43 52.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.322 . . . . 0.0 110.86 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.496 ' NZ ' HG21 ' B' ' 51' ' ' THR . 28.9 ttpp -106.99 155.13 20.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.916 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.85 ' HB ' HG23 ' A' ' 16' ' ' THR . 55.0 t -137.2 128.18 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.29 0.567 . . . . 0.0 111.407 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.494 ' HB ' HG22 ' B' ' 53' ' ' THR . 70.9 mt -94.98 113.86 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.275 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.46 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.4 mt -94.33 85.31 4.57 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.628 ' O ' ' HA ' ' B' ' 55' ' ' THR . 30.8 t-20 -95.2 106.96 19.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.531 -177.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.488 ' HA2' ' HG2' ' B' ' 56' ' ' GLU . . . -115.18 -170.29 16.23 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.266 -0.969 . . . . 0.0 112.373 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' A' ' 10' ' ' LYS . 5.4 mtpm? -76.26 -56.2 4.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.042 0.449 . . . . 0.0 110.452 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.455 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 4.1 p -107.36 6.84 28.74 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.152 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.014 HD13 ' HB ' ' B' ' 18' ' ' THR . 22.8 tp -138.39 138.55 38.34 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.185 0.517 . . . . 0.0 111.474 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.511 ' H ' HD12 ' A' ' 12' ' ' LEU . 10.4 mtmp? -145.25 146.11 31.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.392 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.472 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 177.32 -166.47 37.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.206 -0.997 . . . . 0.0 113.281 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -146.76 156.65 43.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 110.63 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.85 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -151.12 169.17 22.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.541 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.452 ' O ' HD12 ' B' ' 12' ' ' LEU . 53.1 p -143.11 118.27 10.14 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.099 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.018 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.8 t -109.04 146.04 34.6 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.592 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -105.85 115.72 30.72 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.73 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -145.38 149.07 34.09 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 121.24 0.543 . . . . 0.0 111.732 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.3 t -50.88 -25.71 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.971 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.503 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -156.18 176.51 12.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.895 0.379 . . . . 0.0 111.4 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.81 96.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.395 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.04 -54.82 36.15 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.847 ' O ' HG23 ' A' ' 29' ' ' VAL . 57.0 p -50.8 -45.65 59.42 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.339 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.68 -53.58 56.32 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.087 178.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.36 -47.56 62.74 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.651 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.61 -45.26 93.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.562 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 25' ' ' THR . 88.7 t -58.94 -40.15 79.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.418 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 26' ' ' ALA . 58.1 t -64.76 -48.13 85.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.508 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 9.6 mtpm? -48.82 -51.26 30.4 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.024 0.44 . . . . 0.0 110.31 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.453 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 61.9 tt0 -60.3 -37.33 80.2 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.93 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.918 ' CG ' HD23 ' B' ' 12' ' ' LEU . 66.7 t80 -52.12 -55.77 18.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.812 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -72.1 -36.17 69.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.817 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.535 ' ND2' HG21 ' B' ' 39' ' ' VAL . 29.1 t-20 -50.06 -41.24 47.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.653 178.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -94.81 -22.76 17.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.816 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.8 m-20 -80.64 -46.68 15.25 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.079 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.86 -117.11 0.0 OUTLIER Glycine 0 CA--C 1.521 0.453 0 N-CA-C 115.539 0.975 . . . . 0.0 115.539 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.7 t -111.64 4.67 8.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.409 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -125.25 11.46 8.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 118.494 0.588 . . . . 0.0 112.091 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.62 176.13 54.22 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.993 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -94.52 98.62 10.97 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.717 0.294 . . . . 0.0 110.348 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.56 ' CH2' HG12 ' B' ' 30' ' ' VAL . 10.7 m95 -94.36 115.17 27.35 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.7 p -109.31 136.81 48.15 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.492 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 8.3 t80 -110.73 144.46 39.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 111.534 -178.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -123.22 82.42 2.0 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.696 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.437 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 14.7 m-20 -45.9 -35.22 4.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.796 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.69 -33.34 15.56 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.9 p -128.11 16.5 6.72 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm 48.18 36.16 6.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.916 0.389 . . . . 0.0 110.597 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.488 HG21 ' NZ ' ' B' ' 4' ' ' LYS . 93.9 m -127.24 140.13 52.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.594 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.492 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 6.3 m-85 -105.42 144.38 32.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.495 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.502 HG22 ' HB ' ' B' ' 6' ' ' ILE . 2.8 p -116.04 125.01 51.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.094 0.474 . . . . 0.0 110.75 178.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.403 HG12 ' OD1' ' A' ' 37' ' ' ASN . 44.6 t -108.37 111.69 37.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.325 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.632 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 23.2 m -102.03 113.96 27.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.745 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.491 ' HG2' ' HA2' ' B' ' 9' ' ' GLY . 19.1 pt-20 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.713 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.402 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 27.7 ttt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.869 0.366 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.402 ' N ' ' HG2' ' B' ' 1' ' ' MET . 8.2 tt0 -105.84 144.03 33.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.371 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -132.44 148.54 52.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.488 ' NZ ' HG21 ' A' ' 51' ' ' THR . 28.9 ttpp -107.04 155.17 20.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.918 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.846 ' HB ' HG23 ' B' ' 16' ' ' THR . 55.3 t -137.27 128.15 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.246 0.546 . . . . 0.0 111.377 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.502 ' HB ' HG22 ' A' ' 53' ' ' THR . 70.9 mt -94.9 113.93 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.24 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mt -94.37 85.26 4.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.632 ' O ' ' HA ' ' A' ' 55' ' ' THR . 30.9 t-20 -95.18 106.88 18.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.5 -177.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.491 ' HA2' ' HG2' ' A' ' 56' ' ' GLU . . . -115.19 -170.34 16.24 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.278 -0.963 . . . . 0.0 112.354 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' B' ' 10' ' ' LYS . 5.4 mtpm? -76.23 -56.31 4.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.002 0.43 . . . . 0.0 110.403 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.454 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 4.1 p -107.2 6.69 28.93 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.2 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 1.018 HD13 ' HB ' ' A' ' 18' ' ' THR . 23.1 tp -138.24 138.6 38.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.145 0.498 . . . . 0.0 111.515 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.505 ' H ' HD12 ' B' ' 12' ' ' LEU . 10.4 mtmp? -145.3 146.08 31.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.391 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 177.37 -166.41 36.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.175 -1.012 . . . . 0.0 113.201 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -146.84 156.6 43.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 0.0 110.628 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.846 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.1 OUTLIER -151.05 169.2 22.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.976 -179.551 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.455 ' O ' HD12 ' A' ' 12' ' ' LEU . 55.0 p -143.09 118.36 10.2 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' THR . . . . . 1.014 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.9 t -109.15 145.94 34.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.569 178.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -105.77 115.66 30.61 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.728 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -145.32 149.04 34.11 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 121.144 0.497 . . . . 0.0 111.77 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.3 t -50.94 -25.64 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.981 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.501 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -156.19 176.49 12.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.926 0.393 . . . . 0.0 111.336 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.73 95.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.469 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 -54.69 37.35 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.844 ' O ' HG23 ' B' ' 29' ' ' VAL . 57.3 p -50.94 -45.54 60.62 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.651 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.65 -53.6 56.17 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.176 177.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.23 -47.61 62.32 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.693 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.67 -45.15 94.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.566 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.844 HG23 ' O ' ' B' ' 25' ' ' THR . 86.5 t -59.08 -40.07 79.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.401 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.651 HG23 ' O ' ' B' ' 26' ' ' ALA . 58.2 t -64.83 -48.06 85.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.51 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 9.6 mtpm? -48.82 -51.3 30.17 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.086 0.469 . . . . 0.0 110.294 178.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.449 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 61.9 tt0 -60.26 -37.46 80.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.79 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.916 ' CG ' HD23 ' A' ' 12' ' ' LEU . 66.5 t80 -52.05 -55.73 18.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.788 178.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -72.18 -36.13 69.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.807 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.534 ' ND2' HG21 ' A' ' 39' ' ' VAL . 29.1 t-20 -50.0 -41.37 46.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.637 178.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -94.72 -22.82 17.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.737 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.497 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.8 m-20 -80.56 -46.63 15.43 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.108 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.89 -117.16 0.0 OUTLIER Glycine 0 C--N 1.334 0.462 0 CA-C-N 114.995 -1.002 . . . . 0.0 115.591 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.7 t -111.55 4.65 8.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -176.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -125.29 11.47 8.11 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.799 -0.563 . . . . 0.0 112.006 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.6 176.02 54.24 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 120.493 -0.861 . . . . 0.0 113.019 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -94.43 98.6 10.99 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.748 0.309 . . . . 0.0 110.321 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.558 ' CH2' HG12 ' A' ' 30' ' ' VAL . 10.7 m95 -94.4 115.16 27.32 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.414 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 62.8 p -109.25 136.77 48.17 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.127 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.493 ' CD1' ' CD2' ' B' ' 52' ' ' PHE . 8.2 t80 -110.71 144.51 39.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 111.531 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -123.24 82.39 1.99 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.735 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.439 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 14.8 m-20 -45.88 -35.33 4.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.721 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.65 -33.28 15.14 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -128.12 16.41 6.71 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm 48.27 36.16 6.51 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.919 0.39 . . . . 0.0 110.611 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.496 HG21 ' NZ ' ' A' ' 4' ' ' LYS . 93.9 m -127.17 140.16 52.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.54 -179.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.493 ' CD2' ' CD1' ' B' ' 45' ' ' TYR . 6.4 m-85 -105.47 144.49 32.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.47 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.494 HG22 ' HB ' ' A' ' 6' ' ' ILE . 2.8 p -116.15 124.96 51.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.056 0.455 . . . . 0.0 110.769 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.406 HG12 ' OD1' ' B' ' 37' ' ' ASN . 44.5 t -108.22 111.77 37.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.255 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.628 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 22.9 m -102.04 113.93 27.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.773 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.488 ' HG2' ' HA2' ' A' ' 9' ' ' GLY . 19.2 pt-20 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.834 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.622 ' HG3' ' CE1' ' A' ' 3' ' ' TYR . 4.7 ppp? . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -97.86 125.91 42.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.88 0.371 . . . . 0.0 111.371 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.622 ' CE1' ' HG3' ' A' ' 1' ' ' MET . 1.3 m-85 -122.31 145.63 48.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.515 ' O ' ' HA ' ' B' ' 51' ' ' THR . 24.3 ttmm -110.97 107.65 17.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 111.455 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.822 ' HB ' HG23 ' A' ' 16' ' ' THR . 98.5 t -94.04 117.6 38.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.232 0.539 . . . . 0.0 110.585 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.773 HG22 ' OD1' ' A' ' 8' ' ' ASN . 65.4 mt -94.42 130.0 43.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.36 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.426 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.1 mt -107.99 92.26 3.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.431 -178.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.773 ' OD1' HG22 ' A' ' 6' ' ' ILE . 6.0 m120 -97.21 106.67 19.03 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.907 -179.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.87 -171.18 18.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.297 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.5 mtmp? -76.64 -55.5 5.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.904 0.383 . . . . 0.0 110.77 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.486 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 3.2 p -107.62 6.53 27.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.187 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.9 HD23 ' CG ' ' B' ' 33' ' ' PHE . 19.0 tp -138.36 138.68 38.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.095 0.474 . . . . 0.0 110.724 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.55 ' H ' HD12 ' A' ' 12' ' ' LEU . 95.2 mttt -145.0 144.06 30.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.239 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.67 -168.24 37.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 119.982 -1.104 . . . . 0.0 113.373 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -150.17 143.08 24.8 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.341 0.591 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.822 HG23 ' HB ' ' A' ' 5' ' ' VAL . 4.0 t -136.02 169.08 18.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.773 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.408 ' O ' HD12 ' B' ' 12' ' ' LEU . 76.9 p -142.96 119.24 10.85 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.862 ' HB ' HD13 ' B' ' 12' ' ' LEU . 14.3 t -109.68 144.44 38.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.577 178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -106.82 113.84 27.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.608 0.242 . . . . 0.0 110.441 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.705 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -146.21 152.75 39.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.21 0.529 . . . . 0.0 112.053 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.414 HG23 ' H ' ' A' ' 21' ' ' VAL . 17.1 t -50.59 -36.38 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.893 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.456 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 4.0 p-10 -142.55 166.92 23.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.2 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.532 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -57.1 -41.59 79.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.54 -54.81 30.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.89 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.907 ' O ' HG23 ' A' ' 29' ' ' VAL . 20.6 p -52.89 -44.03 66.6 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.705 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -61.38 -50.75 71.62 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.49 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 89.3 tt0 -54.99 -48.71 72.95 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.932 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -58.52 -39.35 79.89 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.353 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 25' ' ' THR . 97.2 t -59.95 -37.05 70.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.164 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.682 HG21 HG21 ' A' ' 5' ' ' VAL . 15.3 t -65.51 -47.88 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.419 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -47.96 -44.1 29.97 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.144 0.497 . . . . 0.0 109.911 178.778 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.632 HE22 ' CD ' ' A' ' 56' ' ' GLU . 11.7 tm0? -65.66 -37.0 85.3 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.906 ' CG ' HD23 ' B' ' 12' ' ' LEU . 60.8 t80 -55.8 -58.11 9.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.238 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.494 ' CE2' HG12 ' A' ' 30' ' ' VAL . 28.1 m-85 -72.51 -41.71 65.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.157 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -49.42 -38.32 28.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.492 0.663 . . . . 0.0 109.705 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.459 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 38.6 m-20 -94.62 -24.67 17.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.918 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.476 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.4 m-20 -78.37 -46.73 19.26 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -1.61 -121.28 0.0 OUTLIER Glycine 0 CA--C 1.519 0.339 0 CA-C-N 114.494 -1.23 . . . . 0.0 116.047 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.2 t -89.48 -43.79 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 115.899 1.815 . . . . 0.0 115.899 -175.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -99.37 28.67 4.4 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -177.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.63 169.83 54.13 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 119.926 -1.131 . . . . 0.0 111.74 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -91.06 95.74 10.25 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.887 0.343 . . . . 0.0 110.17 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.551 ' HH2' HG12 ' B' ' 30' ' ' VAL . 6.8 m0 -97.78 119.59 36.65 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.6 p -106.42 133.94 50.33 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 17.4 t80 -106.35 143.15 34.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.98 0.419 . . . . 0.0 111.828 -178.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.7 t0 -123.61 81.13 1.87 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.498 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.24 -35.46 7.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.502 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.496 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.23 -34.21 22.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.027 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.7 p -128.18 10.86 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.8 mttp 54.49 31.49 14.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.966 0.412 . . . . 0.0 110.567 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.56 HG21 ' CD1' ' B' ' 6' ' ' ILE . 95.9 m -105.0 148.7 26.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.352 -178.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.526 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 27.1 m-85 -122.58 96.23 4.95 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.296 0.57 . . . . 0.0 111.827 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -78.11 124.73 28.39 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.255 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.6 t -113.14 111.79 37.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.204 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.595 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 25.2 m -101.33 116.3 32.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.279 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.632 ' CD ' HE22 ' A' ' 32' ' ' GLN . 3.7 tm-20 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.623 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.625 ' HG3' ' CE1' ' B' ' 3' ' ' TYR . 4.7 ppp? . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -97.83 125.79 42.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.847 0.356 . . . . 0.0 111.446 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.625 ' CE1' ' HG3' ' B' ' 1' ' ' MET . 1.3 m-85 -122.17 145.61 48.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.41 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 51' ' ' THR . 24.3 ttmm -110.96 107.73 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.735 0.302 . . . . 0.0 111.408 -179.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.821 ' HB ' HG23 ' B' ' 16' ' ' THR . 97.7 t -94.22 117.73 38.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.369 0.604 . . . . 0.0 110.495 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.767 HG22 ' OD1' ' B' ' 8' ' ' ASN . 66.0 mt -94.49 129.87 44.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.324 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.1 mt -107.86 92.25 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.441 -178.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.767 ' OD1' HG22 ' B' ' 6' ' ' ILE . 6.0 m120 -97.14 106.62 18.98 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.926 -179.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.88 -171.22 18.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.36 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.465 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.5 mtmp? -76.66 -55.45 5.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.828 0.347 . . . . 0.0 110.778 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.483 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 3.3 p -107.58 6.51 28.01 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.22 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.906 HD23 ' CG ' ' A' ' 33' ' ' PHE . 19.2 tp -138.43 138.66 38.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.009 0.433 . . . . 0.0 110.828 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.547 ' H ' HD12 ' B' ' 12' ' ' LEU . 95.2 mttt -144.95 144.04 30.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.159 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.67 -168.09 37.39 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.055 -1.069 . . . . 0.0 113.406 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -150.23 143.11 24.76 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.362 0.601 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.821 HG23 ' HB ' ' B' ' 5' ' ' VAL . 4.0 t -136.05 169.11 18.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.752 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' B' ' 3' ' ' TYR . 76.1 p -142.97 119.23 10.83 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.851 ' HB ' HD13 ' A' ' 12' ' ' LEU . 14.1 t -109.69 144.49 37.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.548 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -106.74 113.78 27.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.556 0.217 . . . . 0.0 110.537 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.711 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -146.25 152.77 39.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.249 0.547 . . . . 0.0 111.93 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 17.1 t -50.65 -36.4 14.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.902 -178.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.455 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 4.0 p-10 -142.45 166.93 23.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.249 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.526 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -57.0 -41.77 79.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.44 -54.8 30.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.967 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.908 ' O ' HG23 ' B' ' 29' ' ' VAL . 20.7 p -52.71 -44.15 66.13 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.711 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -61.48 -50.69 71.73 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.49 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 89.3 tt0 -55.03 -48.7 73.04 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.866 179.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -58.63 -39.32 80.19 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.431 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.908 HG23 ' O ' ' B' ' 25' ' ' THR . 97.6 t -60.04 -36.98 70.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.107 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.674 HG21 HG21 ' B' ' 5' ' ' VAL . 15.4 t -65.51 -47.89 84.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' B' ' 27' ' ' GLU . 1.0 OUTLIER -47.92 -44.21 29.72 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.051 0.453 . . . . 0.0 109.886 178.751 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.625 HE22 ' CD ' ' B' ' 56' ' ' GLU . 11.7 tm0? -65.57 -37.0 85.4 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.9 ' CG ' HD23 ' A' ' 12' ' ' LEU . 61.0 t80 -55.89 -58.0 9.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.202 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.497 ' CE2' HG12 ' B' ' 30' ' ' VAL . 28.1 m-85 -72.58 -41.6 65.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.185 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -49.45 -38.3 29.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.573 0.701 . . . . 0.0 109.759 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.464 ' HB2' ' HG2' ' B' ' 56' ' ' GLU . 38.9 m-20 -94.64 -24.75 17.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.801 -1.09 . . . . 0.0 112.763 -179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' B' ' 38' ' ' GLY . 20.0 m120 -78.44 -46.62 19.34 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -1.6 -121.36 0.0 OUTLIER Glycine 0 C--N 1.333 0.37 0 CA-C-N 114.52 -1.218 . . . . 0.0 116.016 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 63.6 t -89.44 -43.84 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -175.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -99.38 28.74 4.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.62 169.74 54.16 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.013 -1.089 . . . . 0.0 111.762 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -91.03 95.6 10.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 117.002 0.401 . . . . 0.0 110.26 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.559 ' HH2' HG12 ' A' ' 30' ' ' VAL . 6.8 m0 -97.69 119.66 36.67 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -178.235 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 53.0 p -106.52 134.07 50.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 17.4 t80 -106.41 143.26 34.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.025 0.44 . . . . 0.0 111.837 -178.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.491 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.6 t0 -123.6 81.12 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.484 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.24 -35.57 7.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.444 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.491 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.15 -34.19 21.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.05 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 74.7 p -128.22 10.93 6.38 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 mttp 54.56 31.42 14.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.028 0.442 . . . . 0.0 110.528 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.551 HG21 ' CD1' ' A' ' 6' ' ' ILE . 95.4 m -104.99 148.56 26.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.522 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.532 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 26.4 m-85 -122.53 96.11 4.9 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.314 0.578 . . . . 0.0 111.858 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -77.84 124.59 28.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.329 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.6 t -113.08 111.82 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.156 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 25.3 m -101.32 116.27 32.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.213 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.625 ' CD ' HE22 ' B' ' 32' ' ' GLN . 3.7 tm-20 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.651 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.584 ' HG3' ' CE1' ' A' ' 3' ' ' TYR . 2.2 tpt . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.797 0.332 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -98.92 139.37 34.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.182 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.584 ' CE1' ' HG3' ' A' ' 1' ' ' MET . 67.2 m-85 -122.09 141.34 51.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.567 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.757 ' O ' HG23 ' B' ' 51' ' ' THR . 61.1 tttm -104.86 108.28 19.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.658 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.673 ' HB ' HG23 ' A' ' 16' ' ' THR . 60.7 t -95.05 136.45 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.206 0.526 . . . . 0.0 110.589 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.8 HG22 ' OD1' ' A' ' 8' ' ' ASN . 78.6 mt -110.95 128.34 67.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.278 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 mt -108.26 101.16 10.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.953 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.8 ' OD1' HG22 ' A' ' 6' ' ' ILE . 5.8 m120 -106.74 105.84 16.07 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.851 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.66 -167.63 19.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.532 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.468 ' N ' ' HE3' ' A' ' 10' ' ' LYS . 0.9 OUTLIER -71.32 -55.09 8.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.657 0.265 . . . . 0.0 111.168 -179.767 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.612 ' OG1' HG13 ' B' ' 29' ' ' VAL . 4.8 p -117.96 16.83 14.24 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.408 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.956 HD13 ' HB ' ' B' ' 18' ' ' THR . 26.9 tp -141.55 139.39 33.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.102 0.477 . . . . 0.0 111.29 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.51 ' H ' HD12 ' A' ' 12' ' ' LEU . 97.1 mttt -145.33 147.87 32.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.284 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.67 -176.0 43.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.004 -1.093 . . . . 0.0 113.751 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -136.27 135.16 38.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.824 0.345 . . . . 0.0 110.256 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.772 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -134.25 166.25 23.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.038 -179.7 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.475 HG22 ' HA ' ' A' ' 4' ' ' LYS . 46.7 p -143.46 121.36 12.01 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.971 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.3 t -108.58 142.22 39.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.329 178.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' OE1' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -105.85 110.38 22.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.624 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -142.55 152.96 43.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.223 0.535 . . . . 0.0 112.107 -179.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.0 t -50.86 -37.16 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.844 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.684 ' OD1' HG23 ' A' ' 25' ' ' THR . 59.2 p30 -146.4 167.92 22.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.687 0.28 . . . . 0.0 111.111 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.95 -40.46 63.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.623 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.81 -55.13 29.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.202 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.814 ' O ' HG23 ' A' ' 29' ' ' VAL . 45.7 p -52.94 -45.26 67.6 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -60.04 -53.08 62.07 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.474 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 5.1 tp10 -51.49 -49.91 60.92 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.839 179.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 4.3 mmmp? -59.16 -41.02 87.36 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.67 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 25' ' ' THR . 73.8 t -54.26 -40.96 49.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.328 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.643 HG12 ' CH2' ' B' ' 43' ' ' TRP . 39.4 t -64.53 -46.75 91.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.474 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -49.63 -45.65 48.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.79 0.329 . . . . 0.0 110.658 178.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -69.12 -38.72 79.03 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.8 ' CG ' HD23 ' B' ' 12' ' ' LEU . 61.0 t80 -54.14 -55.78 24.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.718 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.499 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 25.6 m-85 -75.84 -39.04 57.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.592 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -50.9 -39.03 53.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.324 0.583 . . . . 0.0 110.001 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.468 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 34.2 m-20 -94.66 -26.5 16.3 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.073 -0.967 . . . . 0.0 113.388 -179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.507 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 90.0 m-20 -75.68 -40.48 55.84 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.439 -0.504 . . . . 0.0 109.892 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.94 -119.91 0.0 OUTLIER Glycine 0 CA--C 1.521 0.453 0 CA-C-N 114.463 -1.244 . . . . 0.0 115.909 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.2 t -84.81 -55.51 6.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 -175.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -90.1 27.55 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -176.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.09 146.41 49.06 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 119.926 -1.131 . . . . 0.0 112.238 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.19 93.19 2.29 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.741 0.305 . . . . 0.0 110.225 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.643 ' CH2' HG12 ' B' ' 30' ' ' VAL . 10.3 m0 -105.69 128.9 53.94 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.0 p -110.3 140.08 44.84 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.434 ' CD2' ' OD1' ' A' ' 47' ' ' ASP . 5.9 t80 -109.89 142.03 41.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 0.0 111.777 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -123.63 81.97 1.96 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.644 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.434 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 13.6 m-20 -46.46 -35.15 5.34 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.554 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.02 -31.19 12.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.128 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.9 p -128.03 15.12 6.83 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HE2' ' HE3' ' B' ' 1' ' ' MET . 2.6 mtmp? 47.54 38.96 8.74 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.089 0.471 . . . . 0.0 110.657 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.758 HG23 ' O ' ' B' ' 4' ' ' LYS . 88.0 m -125.33 144.44 50.49 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.643 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.458 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.5 m-85 -113.43 145.82 40.53 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.052 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -121.45 127.39 51.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.965 0.412 . . . . 0.0 111.024 178.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.64 HG13 ' NE1' ' A' ' 43' ' ' TRP . 45.3 t -107.64 113.31 43.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.463 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.597 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 23.5 m -101.26 109.32 21.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 111.413 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.468 ' HG2' ' HB2' ' A' ' 36' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.54 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.639 ' HA ' ' HE2' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.86 0.362 . . . . 0.0 110.562 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -99.32 139.07 35.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.099 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -121.81 141.49 51.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.642 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.758 ' O ' HG23 ' A' ' 51' ' ' THR . 61.0 tttm -104.93 108.22 19.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.677 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.679 ' HB ' HG23 ' B' ' 16' ' ' THR . 60.3 t -95.07 136.46 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 121.185 0.516 . . . . 0.0 110.583 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.806 HG22 ' OD1' ' B' ' 8' ' ' ASN . 79.4 mt -110.91 128.27 67.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.35 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 mt -108.33 101.27 10.48 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.944 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.806 ' OD1' HG22 ' B' ' 6' ' ' ILE . 5.8 m120 -106.65 105.86 16.1 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.839 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.71 -167.57 19.19 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.467 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.466 ' HE3' ' N ' ' B' ' 10' ' ' LYS . 0.9 OUTLIER -71.21 -55.11 8.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.707 0.289 . . . . 0.0 111.26 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.612 ' OG1' HG13 ' A' ' 29' ' ' VAL . 4.7 p -118.03 16.77 14.18 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.282 -179.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.971 HD13 ' HB ' ' A' ' 18' ' ' THR . 26.7 tp -141.59 139.42 33.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.027 0.441 . . . . 0.0 111.276 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.507 ' H ' HD12 ' B' ' 12' ' ' LEU . 97.0 mttt -145.31 147.83 32.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.304 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.71 -176.1 43.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 119.892 -1.147 . . . . 0.0 113.602 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -136.14 135.14 38.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.923 0.392 . . . . 0.0 110.279 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.764 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -134.17 166.23 23.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.04 -179.772 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.475 HG22 ' HA ' ' B' ' 4' ' ' LYS . 47.1 p -143.44 121.24 11.93 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.956 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.2 t -108.42 142.23 39.09 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.343 178.387 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' B' ' 20' ' ' ALA . 0.0 OUTLIER -105.91 110.4 22.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.622 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -142.57 153.01 43.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.19 0.519 . . . . 0.0 112.059 -179.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.0 t -50.87 -37.35 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.938 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.679 ' OD1' HG23 ' B' ' 25' ' ' THR . 59.3 p30 -146.19 167.84 22.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.789 0.328 . . . . 0.0 111.051 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.93 -40.39 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.574 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.86 -55.06 29.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.168 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.816 ' O ' HG23 ' B' ' 29' ' ' VAL . 45.5 p -53.06 -45.19 67.97 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -59.97 -53.18 60.82 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.474 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 5.1 tp10 -51.5 -49.78 61.2 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.933 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.46 ' NZ ' ' HB3' ' B' ' 28' ' ' LYS . 4.2 mmmp? -59.16 -41.03 87.42 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.768 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.816 HG23 ' O ' ' B' ' 25' ' ' THR . 72.5 t -54.26 -40.98 50.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.339 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.643 HG12 ' CH2' ' A' ' 43' ' ' TRP . 39.4 t -64.45 -46.77 91.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.544 179.041 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' B' ' 27' ' ' GLU . 1.0 OUTLIER -49.49 -45.76 47.37 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-O 120.873 0.368 . . . . 0.0 110.672 178.857 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -69.09 -38.87 79.21 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.792 ' CG ' HD23 ' A' ' 12' ' ' LEU . 60.9 t80 -54.02 -55.75 24.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.755 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.5 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 25.5 m-85 -75.91 -39.09 56.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.525 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -50.74 -39.08 51.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.393 0.616 . . . . 0.0 110.003 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.458 ' HB2' ' HG2' ' B' ' 56' ' ' GLU . 34.0 m-20 -94.65 -26.56 16.29 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.055 -0.975 . . . . 0.0 113.365 -178.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.507 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 90.1 m-20 -75.75 -40.4 55.49 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 120.374 -0.53 . . . . 0.0 109.902 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.02 -119.81 0.0 OUTLIER Glycine 0 C--N 1.333 0.369 0 CA-C-N 114.636 -1.166 . . . . 0.0 115.989 179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -84.9 -55.54 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -175.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -90.03 27.38 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -176.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.95 146.37 49.15 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 119.958 -1.115 . . . . 0.0 112.148 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.13 93.14 2.26 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.643 ' CH2' HG12 ' A' ' 30' ' ' VAL . 10.4 m0 -105.67 129.06 53.97 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -178.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 77.8 p -110.37 140.17 44.84 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.43 ' CD2' ' OD1' ' B' ' 47' ' ' ASP . 5.9 t80 -109.95 141.83 42.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 111.781 -178.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.49 81.87 1.94 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.745 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.43 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 13.6 m-20 -46.38 -35.31 5.35 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.524 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.9 -31.26 11.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.283 -179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 73.9 p -127.99 15.34 6.84 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? 47.21 39.27 8.16 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.041 0.448 . . . . 0.0 110.71 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 4' ' ' LYS . 87.0 m -125.35 144.36 50.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.661 -179.019 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' B' ' 52' ' ' PHE . 1.5 m-85 -113.43 145.83 40.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.043 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -121.5 127.45 51.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.958 0.409 . . . . 0.0 110.973 178.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.64 HG13 ' CD1' ' B' ' 43' ' ' TRP . 45.3 t -107.61 113.24 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.524 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.606 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 24.0 m -101.25 109.33 21.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 0.0 111.242 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.458 ' HG2' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.597 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.613 ' HE1' ' HG2' ' B' ' 50' ' ' LYS . 5.7 ttp . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.748 0.309 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -99.08 132.25 44.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.334 -0.393 . . . . 0.0 109.946 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.478 ' CE2' ' HE1' ' A' ' 1' ' ' MET . 70.8 m-85 -115.46 143.93 44.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.832 0.348 . . . . 0.0 110.797 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.505 ' O ' ' HA ' ' B' ' 51' ' ' THR . 63.1 tttp -103.26 105.91 16.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.512 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.622 ' HB ' HG23 ' A' ' 16' ' ' THR . 90.3 t -94.62 112.82 27.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.3 0.571 . . . . 0.0 110.767 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.712 HG22 ' OD1' ' A' ' 8' ' ' ASN . 47.9 mt -94.94 127.87 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.786 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.435 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.9 mt -108.94 101.43 10.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.154 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.712 ' OD1' HG22 ' A' ' 6' ' ' ILE . 3.9 m120 -105.06 108.89 20.65 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.472 ' CA ' ' HB2' ' B' ' 56' ' ' GLU . . . -114.88 -176.21 18.72 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.7 178.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 12.6 mptt -76.54 -50.43 13.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.08 0.467 . . . . 0.0 110.322 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.537 ' OG1' HG13 ' B' ' 29' ' ' VAL . 10.4 p -106.21 1.77 26.34 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.497 -179.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.948 HD23 ' CG ' ' B' ' 33' ' ' PHE . 19.2 tp -137.0 137.56 39.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.279 0.561 . . . . 0.0 111.543 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.521 ' H ' HD12 ' A' ' 12' ' ' LEU . 2.0 mppt? -143.51 143.12 31.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.764 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.48 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -174.03 -177.33 43.12 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 119.817 -1.182 . . . . 0.0 113.393 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -140.09 136.02 33.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.495 -0.353 . . . . 0.0 110.197 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.765 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -135.33 165.26 25.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.757 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.3 p -143.37 119.15 10.51 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.94 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.6 t -106.95 145.91 31.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.359 178.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -106.58 111.2 23.64 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.723 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -142.37 152.13 42.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.203 0.525 . . . . 0.0 111.909 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.8 t -50.86 -29.63 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.889 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.637 ' OD1' HG23 ' A' ' 25' ' ' THR . 57.7 p30 -154.1 178.03 10.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.918 0.39 . . . . 0.0 111.391 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.99 94.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.729 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.83 -54.21 45.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.311 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.807 ' O ' HG23 ' A' ' 29' ' ' VAL . 41.4 p -51.11 -45.14 61.44 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.74 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.01 -53.86 52.84 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -52.29 -47.92 65.63 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.769 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -59.62 -43.89 93.65 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.073 0.463 . . . . 0.0 109.906 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 25' ' ' THR . 83.1 t -60.62 -38.11 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.476 179.376 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 26' ' ' ALA . 15.6 t -67.61 -49.85 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.477 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.535 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 27.9 mmtm -46.15 -51.79 13.44 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 121.158 0.504 . . . . 0.0 109.836 178.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.515 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -62.01 -35.36 78.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.725 179.084 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.951 ' CG ' HD23 ' B' ' 12' ' ' LEU . 49.8 t80 -56.19 -61.39 2.42 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.232 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.426 ' CE2' HG12 ' A' ' 30' ' ' VAL . 26.8 m-85 -69.42 -39.63 77.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.823 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.532 ' ND2' HG21 ' B' ' 39' ' ' VAL . 32.5 t-20 -49.58 -38.99 33.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.516 0.674 . . . . 0.0 109.797 178.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.7 -23.03 17.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.587 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.474 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.0 m-20 -79.92 -46.6 16.46 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.961 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.08 -118.2 0.0 OUTLIER Glycine 0 CA--C 1.521 0.441 0 CA-C-N 114.949 -1.023 . . . . 0.0 115.51 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.674 HG12 ' O ' ' A' ' 39' ' ' VAL . 26.3 t -111.91 5.04 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -176.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -123.63 12.33 9.25 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.763 -0.585 . . . . 0.0 112.152 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.99 177.98 53.19 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.849 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -97.51 100.38 11.8 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.589 ' HH2' HG12 ' B' ' 30' ' ' VAL . 9.7 m95 -97.18 120.26 37.21 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.8 p -110.16 136.92 48.64 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.504 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 22.8 t80 -111.56 146.98 36.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.155 0.503 . . . . 0.0 112.268 -178.409 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -123.56 81.61 1.92 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.135 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.91 -36.09 7.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.187 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.11 -37.08 32.36 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.3 p -128.83 12.25 6.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.733 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.583 ' HG2' ' HE1' ' B' ' 1' ' ' MET . 3.5 mppt? 54.75 29.04 11.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.011 0.434 . . . . 0.0 110.345 -178.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.517 HG23 HG13 ' B' ' 6' ' ' ILE . 88.1 m -97.78 134.4 40.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.604 -179.025 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 25.7 m-85 -112.14 128.54 56.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.999 179.324 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -110.08 92.69 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.326 0.584 . . . . 0.0 111.649 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 51.4 t -82.99 118.48 30.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.452 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 m -85.23 160.78 19.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.246 0.546 . . . . 0.0 111.962 -178.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.474 ' HB2' ' CA ' ' B' ' 9' ' ' GLY . 45.9 tt0 . . . . . 0 C--O 1.249 1.065 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.871 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.583 ' HE1' ' HG2' ' A' ' 50' ' ' LYS . 5.6 ttp . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.818 0.342 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -99.05 132.22 44.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.055 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.482 ' CE2' ' HE1' ' B' ' 1' ' ' MET . 71.0 m-85 -115.45 144.1 44.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.329 . . . . 0.0 110.796 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 51' ' ' THR . 63.2 tttp -103.36 105.79 16.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.538 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.621 ' HB ' HG23 ' B' ' 16' ' ' THR . 88.6 t -94.61 112.81 27.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.376 0.608 . . . . 0.0 110.804 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.715 HG22 ' OD1' ' B' ' 8' ' ' ASN . 47.8 mt -95.0 127.88 46.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.721 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.9 mt -109.0 101.45 10.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.063 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.715 ' OD1' HG22 ' B' ' 6' ' ' ILE . 3.9 m120 -105.08 108.91 20.68 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.474 ' CA ' ' HB2' ' A' ' 56' ' ' GLU . . . -114.89 -176.26 18.72 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.451 -0.88 . . . . 0.0 111.692 178.469 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' B' ' 10' ' ' LYS . 12.6 mptt -76.56 -50.35 14.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.049 0.452 . . . . 0.0 110.332 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.542 ' OG1' HG13 ' A' ' 29' ' ' VAL . 10.4 p -106.16 1.64 26.36 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.46 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.951 HD23 ' CG ' ' A' ' 33' ' ' PHE . 19.1 tp -136.91 137.4 39.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.228 0.537 . . . . 0.0 111.597 -179.39 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.521 ' H ' HD12 ' B' ' 12' ' ' LEU . 2.0 mppt? -143.37 143.1 31.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.779 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -174.0 -177.36 43.12 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 119.906 -1.14 . . . . 0.0 113.517 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -140.05 135.89 33.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.289 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.754 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -135.16 165.39 25.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.735 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 64.0 p -143.52 119.1 10.38 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -178.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.93 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.7 t -106.95 145.81 31.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.376 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -106.53 111.23 23.69 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.717 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -142.41 152.2 42.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.28 0.562 . . . . 0.0 111.877 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.9 t -50.9 -29.6 7.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.833 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.64 ' OD1' HG23 ' B' ' 25' ' ' THR . 57.6 p30 -154.1 178.01 10.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.869 0.366 . . . . 0.0 111.489 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.0 94.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.714 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.83 -54.34 43.53 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.808 ' O ' HG23 ' B' ' 29' ' ' VAL . 41.4 p -50.99 -45.16 60.99 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.441 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.742 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.92 -54.02 51.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -52.27 -47.9 65.58 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.7 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -59.65 -43.91 93.74 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.064 0.459 . . . . 0.0 109.908 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.808 HG23 ' O ' ' B' ' 25' ' ' THR . 83.2 t -60.57 -38.16 77.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.499 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.742 HG23 ' O ' ' B' ' 26' ' ' ALA . 15.7 t -67.58 -49.84 66.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.537 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 27.9 mmtm -46.1 -51.88 13.09 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.335 0.588 . . . . 0.0 109.87 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.517 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -62.0 -35.38 78.37 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.716 179.14 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.948 ' CG ' HD23 ' A' ' 12' ' ' LEU . 50.1 t80 -56.18 -61.37 2.44 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.243 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.419 ' CE2' HG12 ' B' ' 30' ' ' VAL . 26.8 m-85 -69.44 -39.65 77.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.801 179.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.526 ' ND2' HG21 ' A' ' 39' ' ' VAL . 32.6 t-20 -49.62 -38.99 34.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.45 0.643 . . . . 0.0 109.818 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.68 -22.98 17.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.517 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.478 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.0 m-20 -79.96 -46.63 16.34 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.902 179.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.11 -118.12 0.0 OUTLIER Glycine 0 C--N 1.333 0.396 0 CA-C-N 114.887 -1.051 . . . . 0.0 115.539 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.674 HG12 ' O ' ' B' ' 39' ' ' VAL . 25.9 t -111.9 5.01 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -176.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -123.65 12.3 9.23 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.764 -0.585 . . . . 0.0 112.111 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.07 177.89 53.11 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.415 -0.897 . . . . 0.0 112.855 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -97.44 100.52 11.95 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.601 ' HH2' HG12 ' A' ' 30' ' ' VAL . 9.7 m95 -97.18 120.25 37.18 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.207 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 38.8 p -110.1 136.96 48.53 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.508 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 22.8 t80 -111.64 147.05 36.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.152 0.501 . . . . 0.0 112.131 -178.344 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -123.61 81.46 1.9 Allowed 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.165 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.9 -36.12 7.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.111 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.92 -37.22 30.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.3 p -128.78 12.17 6.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.754 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.613 ' HG2' ' HE1' ' A' ' 1' ' ' MET . 3.5 mppt? 54.88 29.05 11.34 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.865 0.364 . . . . 0.0 110.23 -178.604 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.521 HG23 HG13 ' A' ' 6' ' ' ILE . 87.5 m -97.9 134.33 41.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.487 -178.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.508 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 25.5 m-85 -112.01 128.55 56.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.042 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -110.17 92.74 4.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.44 0.638 . . . . 0.0 111.62 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 51.7 t -83.02 118.49 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.47 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 7.4 m -85.32 160.81 19.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.365 0.603 . . . . 0.0 111.856 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.472 ' HB2' ' CA ' ' A' ' 9' ' ' GLY . 45.8 tt0 . . . . . 0 C--O 1.247 0.944 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.976 179.443 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 N--CA 1.484 1.274 0 CA-C-O 120.803 0.335 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -107.01 143.85 34.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 179.584 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.485 ' HE2' ' HB2' ' A' ' 23' ' ' ALA . 10.2 m-85 -128.06 146.86 50.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.73 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.823 ' O ' HG23 ' B' ' 51' ' ' THR . 62.8 tttp -103.85 109.18 20.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.675 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.741 ' HB ' HG23 ' A' ' 16' ' ' THR . 57.4 t -94.61 131.45 41.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.462 179.861 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.426 ' CD1' HG21 ' B' ' 51' ' ' THR . 70.7 mt -104.7 116.14 47.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.26 -179.529 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.946 HD21 ' CZ ' ' A' ' 34' ' ' PHE . 63.1 mt -94.53 83.44 4.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.434 179.272 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.582 HD21 ' C ' ' A' ' 8' ' ' ASN . 0.2 OUTLIER -94.93 107.77 19.8 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.799 -177.717 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.83 -170.69 15.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.184 179.165 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -82.81 -55.15 4.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.261 0.553 . . . . 0.0 110.046 179.469 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.422 ' HB ' HG11 ' B' ' 29' ' ' VAL . 5.6 p -100.12 -2.12 34.99 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.007 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.923 HD13 ' HB ' ' B' ' 18' ' ' THR . 16.7 tp -131.76 132.71 44.04 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.085 0.469 . . . . 0.0 111.37 -179.355 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' H ' HD12 ' A' ' 12' ' ' LEU . 29.7 mmmt -131.75 128.33 38.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.747 -179.881 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.454 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -166.49 175.92 41.78 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 119.626 -1.273 . . . . 0.0 113.82 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -140.19 140.46 35.88 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 179.36 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.774 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -137.62 167.42 21.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 -179.407 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.573 HG22 ' HA ' ' A' ' 4' ' ' LYS . 71.3 p -143.89 119.73 10.58 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.915 ' HB ' HD13 ' B' ' 12' ' ' LEU . 9.9 t -106.56 145.03 32.38 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.551 178.393 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -105.75 117.08 33.09 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.574 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.14 153.71 38.11 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.278 0.561 . . . . 0.0 112.167 -179.267 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.0 t -50.63 -28.1 5.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.167 -178.737 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.68 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -155.17 171.24 20.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.709 0.29 . . . . 0.0 111.292 179.384 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.523 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -57.56 -41.79 81.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.464 -179.316 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.66 -54.36 36.95 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.437 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.916 ' O ' HG23 ' A' ' 29' ' ' VAL . 76.2 p -52.19 -45.74 65.28 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.498 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.606 ' HB1' HG23 ' A' ' 18' ' ' THR . . . -60.73 -51.69 68.28 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.398 178.137 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 8.5 tm-20 -53.34 -46.06 69.36 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.418 178.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -62.04 -43.3 99.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.262 179.354 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 25' ' ' THR . 86.6 t -58.13 -40.42 77.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.235 179.518 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.626 HG12 ' CH2' ' B' ' 43' ' ' TRP . 65.4 t -61.89 -45.94 97.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.58 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.496 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 2.1 mmmp? -48.34 -52.36 21.97 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.244 0.545 . . . . 0.0 110.111 179.077 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.406 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 33.9 tp60 -57.7 -38.12 74.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.783 179.492 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.886 ' CG ' HD23 ' B' ' 12' ' ' LEU . 37.7 t80 -52.86 -65.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.06 179.447 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.946 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 27.5 m-85 -66.07 -38.1 87.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.47 179.434 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.421 ' ND2' ' CG2' ' B' ' 39' ' ' VAL . 33.4 t-20 -50.5 -39.93 49.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.468 0.651 . . . . 0.0 110.136 178.693 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -94.74 -22.94 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.907 -1.042 . . . . 0.0 112.462 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.0 m-20 -78.41 -46.03 20.86 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.193 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -3.84 -118.57 0.0 OUTLIER Glycine 0 CA--C 1.518 0.255 0 CA-C-N 114.587 -1.188 . . . . 0.0 115.687 179.711 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 39' ' ' VAL . 26.3 t -104.91 -1.3 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -175.921 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -125.41 16.72 8.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 119.285 0.948 . . . . 0.0 112.167 -179.576 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.3 165.06 53.8 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.23 -179.608 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -92.01 100.14 12.84 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.857 0.361 . . . . 0.0 110.036 179.432 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.632 ' CH2' HG12 ' B' ' 30' ' ' VAL . 9.4 m0 -101.92 122.88 44.86 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -178.277 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.467 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 76.8 p -111.36 140.32 46.04 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.119 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.518 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 7.2 t80 -111.74 142.57 43.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 111.59 -178.864 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -123.18 82.96 2.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.657 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.437 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 54.3 m-20 -45.89 -34.59 3.96 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.502 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.82 -31.87 12.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.126 -178.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.2 p -128.07 16.32 6.74 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.537 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt 48.26 38.15 9.7 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.83 HG23 ' O ' ' B' ' 4' ' ' LYS . 83.4 m -127.6 141.57 51.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.084 0.469 . . . . 0.0 112.137 -178.466 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.521 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 87.1 m-85 -106.61 144.12 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.647 178.66 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.467 ' HG1' ' HG1' ' A' ' 44' ' ' THR . 3.3 p -120.92 124.92 46.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.193 0.521 . . . . 0.0 111.88 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.9 t -104.93 110.76 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.096 178.429 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.571 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 12.4 m -102.29 115.15 29.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.071 0.463 . . . . 0.0 112.164 -178.35 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.061 179.644 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.941 0.4 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -106.91 143.8 34.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.416 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.487 ' HE2' ' HB2' ' B' ' 23' ' ' ALA . 9.9 m-85 -127.95 146.86 50.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.793 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.83 ' O ' HG23 ' A' ' 51' ' ' THR . 62.9 tttp -103.75 109.12 20.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.664 -179.897 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.738 ' HB ' HG23 ' B' ' 16' ' ' THR . 56.8 t -94.63 131.39 41.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.515 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.432 ' CD1' HG21 ' A' ' 51' ' ' THR . 70.8 mt -104.63 116.15 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.109 0.48 . . . . 0.0 111.317 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.945 HD21 ' CZ ' ' B' ' 34' ' ' PHE . 63.1 mt -94.48 83.34 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.431 179.287 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.575 ' C ' HD21 ' B' ' 8' ' ' ASN . 0.2 OUTLIER -94.9 107.81 19.85 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.779 -177.738 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.85 -170.64 15.52 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.194 179.082 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -82.87 -55.08 4.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.241 0.543 . . . . 0.0 110.144 179.456 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.422 ' HB ' HG11 ' A' ' 29' ' ' VAL . 5.7 p -100.16 -1.96 35.28 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.039 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.915 HD13 ' HB ' ' A' ' 18' ' ' THR . 16.8 tp -131.86 132.68 43.87 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.217 0.532 . . . . 0.0 111.384 -179.457 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.426 ' H ' HD12 ' B' ' 12' ' ' LEU . 29.7 mmmt -131.7 128.24 38.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.798 -179.815 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -166.51 175.83 41.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 119.63 -1.271 . . . . 0.0 113.854 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -140.16 140.42 35.93 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.359 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.765 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -137.48 167.38 21.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.151 -179.376 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.568 HG22 ' HA ' ' B' ' 4' ' ' LYS . 72.0 p -143.87 119.78 10.62 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.031 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.923 ' HB ' HD13 ' A' ' 12' ' ' LEU . 9.8 t -106.65 145.07 32.41 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.466 178.439 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -105.75 117.15 33.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.626 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.578 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -149.19 153.61 37.9 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.213 0.53 . . . . 0.0 112.217 -179.228 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 25.2 t -50.6 -28.03 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.196 -178.722 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.677 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -155.15 171.2 20.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.352 . . . . 0.0 111.158 179.452 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.521 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -57.59 -41.72 81.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.553 -179.457 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.61 -54.57 33.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.398 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.917 ' O ' HG23 ' B' ' 29' ' ' VAL . 75.0 p -52.04 -45.83 64.82 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.507 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.608 ' HB1' HG23 ' B' ' 18' ' ' THR . . . -60.68 -51.69 68.28 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.359 178.184 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 8.4 tm-20 -53.35 -46.13 69.4 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.401 178.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -61.97 -43.3 99.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.287 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.917 HG23 ' O ' ' B' ' 25' ' ' THR . 87.0 t -58.15 -40.35 76.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.356 179.431 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.632 HG12 ' CH2' ' A' ' 43' ' ' TRP . 65.0 t -61.85 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 178.467 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.493 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 2.1 mmmp? -48.41 -52.39 22.22 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.142 0.496 . . . . 0.0 110.034 179.121 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.406 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 33.9 tp60 -57.6 -38.27 74.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.88 179.487 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.892 ' CG ' HD23 ' A' ' 12' ' ' LEU . 36.9 t80 -52.62 -65.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.128 179.336 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.945 ' CZ ' HD21 ' B' ' 7' ' ' LEU . 27.5 m-85 -66.15 -38.04 87.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.496 179.443 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.416 ' ND2' ' CG2' ' A' ' 39' ' ' VAL . 33.5 t-20 -50.51 -39.99 50.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.427 0.632 . . . . 0.0 110.134 178.621 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -94.77 -22.78 17.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.99 -1.004 . . . . 0.0 112.452 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.465 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.0 m-20 -78.47 -46.02 20.69 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.197 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -3.83 -118.62 0.0 OUTLIER Glycine 0 C--N 1.332 0.329 0 CA-C-N 114.587 -1.188 . . . . 0.0 115.639 179.681 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.602 HG12 ' O ' ' B' ' 39' ' ' VAL . 26.9 t -104.97 -1.1 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -175.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -125.52 16.79 8.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 119.165 0.893 . . . . 0.0 112.148 -179.614 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.24 165.07 53.84 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.209 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -92.11 100.17 12.85 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.894 0.378 . . . . 0.0 110.174 179.285 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.626 ' CH2' HG12 ' A' ' 30' ' ' VAL . 9.4 m0 -101.86 122.88 44.83 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.177 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.464 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 76.7 p -111.35 140.42 45.94 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.092 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.52 ' CD1' ' CD2' ' B' ' 52' ' ' PHE . 7.2 t80 -111.75 142.59 43.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.854 0.359 . . . . 0.0 111.643 -178.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -123.13 82.98 2.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.686 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.435 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 53.9 m-20 -45.87 -34.6 3.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.595 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.8 -31.83 12.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.244 -178.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 74.1 p -128.0 16.24 6.79 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.534 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt 48.17 38.26 9.61 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.933 0.397 . . . . 0.0 110.391 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.823 HG23 ' O ' ' A' ' 4' ' ' LYS . 84.0 m -127.7 141.6 51.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.07 -178.371 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.523 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 87.6 m-85 -106.66 144.26 33.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.498 178.724 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.464 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 3.3 p -121.04 124.86 45.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.252 0.549 . . . . 0.0 111.861 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 78.3 t -104.88 110.67 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.128 178.428 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 12.0 m -102.18 114.99 29.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.451 . . . . 0.0 112.14 -178.308 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.311 -0.852 . . . . 0.0 111.071 179.558 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.428 ' HG2' ' N ' ' A' ' 2' ' ' GLN . 28.1 ttt . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.826 0.346 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.428 ' N ' ' HG2' ' A' ' 1' ' ' MET . 66.3 tt0 -103.29 138.12 40.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.141 179.351 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -124.07 146.08 48.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 0.0 111.117 -179.684 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.511 ' O ' ' HA ' ' B' ' 51' ' ' THR . 1.4 tmtp? -97.77 107.71 20.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.025 -179.799 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.784 ' HB ' HG23 ' A' ' 16' ' ' THR . 58.1 t -96.54 124.09 49.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.118 0.485 . . . . 0.0 111.243 -179.561 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.838 HG22 ' OD1' ' A' ' 8' ' ' ASN . 74.4 mt -105.6 125.67 60.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.303 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mt -108.78 103.48 12.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.699 0.285 . . . . 0.0 110.748 -178.906 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.838 ' OD1' HG22 ' A' ' 6' ' ' ILE . 5.7 m120 -109.27 108.76 19.47 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.373 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.423 ' HA2' ' CB ' ' B' ' 56' ' ' GLU . . . -111.97 -170.04 18.44 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.63 179.557 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -71.58 -55.49 7.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.952 0.406 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.7 ' OG1' HG13 ' B' ' 29' ' ' VAL . 3.0 p -114.85 13.23 17.1 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.353 -179.177 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.931 HD13 ' HB ' ' B' ' 18' ' ' THR . 28.5 tp -139.43 139.58 37.12 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.952 0.406 . . . . 0.0 111.276 -179.44 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.47 ' H ' HD12 ' A' ' 12' ' ' LEU . 65.9 mttm -145.11 145.48 31.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.317 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.31 -172.1 39.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 119.891 -1.147 . . . . 0.0 113.567 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HB3' ' HE3' ' A' ' 4' ' ' LYS . 53.6 mt-10 -142.76 137.9 30.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.483 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.784 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -138.54 168.14 20.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.108 -179.579 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.431 ' O ' HD12 ' B' ' 12' ' ' LEU . 58.5 p -143.26 119.57 10.89 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.855 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.945 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.3 t -104.53 138.38 40.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.88 178.786 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -100.26 110.23 22.47 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.557 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -145.71 149.73 34.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.173 0.511 . . . . 0.0 111.868 -179.333 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -50.96 -36.88 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.772 -178.875 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.511 ' OD1' HG23 ' A' ' 25' ' ' THR . 7.3 p-10 -145.65 169.73 17.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.904 0.383 . . . . 0.0 111.364 179.697 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.37 -41.58 72.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.367 -179.764 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.412 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -62.67 -54.45 39.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.253 179.591 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.671 ' O ' HG23 ' A' ' 29' ' ' VAL . 35.0 p -53.07 -44.25 67.36 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.348 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.618 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.75 -53.66 55.32 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.133 177.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 89.0 tt0 -50.68 -49.31 57.63 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.52 179.132 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -59.14 -44.96 92.09 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.192 0.52 . . . . 0.0 109.683 179.053 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.694 HG13 ' OG1' ' B' ' 11' ' ' THR . 51.0 t -56.39 -43.23 76.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.567 179.136 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 26' ' ' ALA . 21.2 t -65.58 -48.79 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.706 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.629 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 27.7 mmtm -46.72 -48.56 20.3 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 121.178 0.513 . . . . 0.0 109.906 178.881 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.507 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -63.71 -35.5 80.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.823 179.017 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.892 ' CG ' HD23 ' B' ' 12' ' ' LEU . 61.4 t80 -56.39 -57.72 11.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.37 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -75.4 -40.59 57.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.54 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.529 HD22 HG22 ' B' ' 39' ' ' VAL . 24.8 t-20 -49.52 -37.79 28.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.55 0.69 . . . . 0.0 109.875 178.689 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.42 ' CB ' ' OE2' ' A' ' 56' ' ' GLU . 1.5 m-20 -94.64 -24.21 17.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.722 -1.127 . . . . 0.0 112.805 -179.52 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 85.5 m-20 -76.92 -43.66 34.69 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.024 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.35 -119.77 0.0 OUTLIER Glycine 0 C--N 1.333 0.362 0 CA-C-N 114.48 -1.237 . . . . 0.0 116.042 179.802 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.525 HG22 HD22 ' B' ' 35' ' ' ASN . 91.5 t -84.37 -55.32 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -175.682 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -89.25 27.28 1.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -176.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.09 156.62 53.57 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 119.901 -1.142 . . . . 0.0 112.038 179.301 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -87.14 99.05 11.64 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.83 0.315 . . . . 0.0 110.156 179.398 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.628 ' CH2' ' HD3' ' B' ' 31' ' ' LYS . 6.4 m0 -104.92 125.29 50.77 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -178.091 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.402 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 71.0 p -108.84 138.27 45.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.516 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.492 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 8.0 t80 -112.45 142.97 44.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.034 0.445 . . . . 0.0 111.56 -178.851 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.63 84.34 2.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.695 179.587 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 15.4 m-20 -47.74 -36.13 10.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.619 -179.672 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.89 -32.71 15.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.115 -179.111 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.7 p -128.11 13.72 6.73 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.65 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 49.22 33.26 4.91 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.554 -179.543 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.616 HG21 ' CD1' ' B' ' 6' ' ' ILE . 96.5 m -113.66 146.02 40.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.127 0.489 . . . . 0.0 111.763 -178.884 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.492 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 1.8 m-85 -116.61 137.29 52.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.008 179.465 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.542 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -119.48 127.7 53.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.185 0.517 . . . . 0.0 111.775 179.381 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -107.48 107.25 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.544 178.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.59 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 10.1 m -94.52 108.44 20.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.057 0.456 . . . . 0.0 111.801 -178.767 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.423 ' CB ' ' HA2' ' B' ' 9' ' ' GLY . 16.3 tp10 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.995 179.582 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.428 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 28.1 ttt . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.778 0.323 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.428 ' N ' ' HG2' ' B' ' 1' ' ' MET . 66.2 tt0 -103.2 138.14 40.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.085 179.35 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -124.11 146.09 48.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.961 0.41 . . . . 0.0 111.122 -179.763 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.511 ' O ' ' HA ' ' A' ' 51' ' ' THR . 1.4 tmtp? -97.91 107.9 20.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.05 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.776 ' HB ' HG23 ' B' ' 16' ' ' THR . 57.7 t -96.58 124.01 49.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.079 0.466 . . . . 0.0 111.317 -179.481 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.84 HG22 ' OD1' ' B' ' 8' ' ' ASN . 74.7 mt -105.66 125.64 61.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.21 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.7 mt -108.76 103.49 12.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.738 0.304 . . . . 0.0 110.742 -178.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.84 ' OD1' HG22 ' B' ' 6' ' ' ILE . 5.7 m120 -109.28 108.75 19.46 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.438 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.423 ' HA2' ' CB ' ' A' ' 56' ' ' GLU . . . -111.96 -170.03 18.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.546 179.593 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -71.62 -55.52 7.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.935 0.398 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.694 ' OG1' HG13 ' A' ' 29' ' ' VAL . 3.0 p -114.75 13.2 17.23 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.294 -179.143 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.945 HD13 ' HB ' ' A' ' 18' ' ' THR . 28.8 tp -139.49 139.49 36.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.001 0.429 . . . . 0.0 111.222 -179.305 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.467 ' H ' HD12 ' B' ' 12' ' ' LEU . 65.8 mttm -144.99 145.49 31.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.348 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.3 -172.18 39.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 119.931 -1.128 . . . . 0.0 113.638 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.421 ' HB3' ' HE3' ' B' ' 4' ' ' LYS . 53.7 mt-10 -142.69 137.99 30.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.972 0.415 . . . . 0.0 110.496 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.776 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -138.58 168.17 20.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.086 -179.541 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.436 ' O ' HD12 ' A' ' 12' ' ' LEU . 58.0 p -143.44 119.46 10.68 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -178.859 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.931 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.4 t -104.27 138.35 40.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.935 178.773 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -100.24 110.19 22.43 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.578 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.549 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -145.68 149.72 34.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.267 0.556 . . . . 0.0 111.814 -179.215 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.08 -36.68 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.848 -178.852 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.516 ' OD1' HG23 ' B' ' 25' ' ' THR . 7.3 p-10 -145.82 169.78 17.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.914 0.388 . . . . 0.0 111.275 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.48 -41.49 73.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.367 -179.619 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.407 ' HB3' ' OD2' ' B' ' 22' ' ' ASP . . . -62.62 -54.49 38.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.205 179.537 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.672 ' O ' HG23 ' B' ' 29' ' ' VAL . 34.4 p -53.13 -44.18 67.51 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.501 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.612 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.84 -53.7 54.8 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 178.005 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -50.53 -49.33 56.13 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.585 179.029 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -59.17 -44.96 92.16 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.085 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.7 HG13 ' OG1' ' A' ' 11' ' ' THR . 50.7 t -56.42 -43.16 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.584 179.146 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.612 HG23 ' O ' ' B' ' 26' ' ' ALA . 21.3 t -65.7 -48.74 81.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.728 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.628 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 27.8 mmtm -46.68 -48.53 20.08 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.088 0.471 . . . . 0.0 109.934 178.721 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.508 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -63.83 -35.46 80.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.753 179.1 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.886 ' CG ' HD23 ' A' ' 12' ' ' LEU . 61.2 t80 -56.32 -57.79 10.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.393 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -75.4 -40.75 57.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.438 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.525 HD22 HG22 ' A' ' 39' ' ' VAL . 24.9 t-20 -49.4 -37.74 26.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.552 0.691 . . . . 0.0 109.976 178.644 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.418 ' CB ' ' OE2' ' B' ' 56' ' ' GLU . 1.5 m-20 -94.74 -24.07 17.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.728 -1.123 . . . . 0.0 112.756 -179.501 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 85.4 m-20 -77.08 -43.63 33.63 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.062 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.25 -119.77 0.0 OUTLIER Glycine 0 C--N 1.333 0.4 0 CA-C-N 114.398 -1.274 . . . . 0.0 116.09 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.529 HG22 HD22 ' A' ' 35' ' ' ASN . 89.6 t -84.38 -55.39 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -175.692 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -89.16 27.14 1.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -176.914 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.89 156.68 53.49 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 119.939 -1.124 . . . . 0.0 111.989 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -87.28 99.06 11.69 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.319 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.629 ' CH2' ' HD3' ' A' ' 31' ' ' LYS . 6.5 m0 -105.03 125.39 50.93 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.018 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.0 p -108.88 138.32 45.41 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.637 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.497 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 8.1 t80 -112.46 142.89 44.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.914 0.388 . . . . 0.0 111.582 -178.814 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -123.6 84.39 2.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.636 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.429 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 15.6 m-20 -47.92 -35.95 11.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.629 -179.619 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.98 -32.65 15.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 112.149 -179.197 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 79.2 p -128.27 13.99 6.66 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 49.24 33.16 4.85 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.903 0.382 . . . . 0.0 110.536 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.61 HG21 ' CD1' ' A' ' 6' ' ' ILE . 96.6 m -113.59 145.93 40.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.821 -178.841 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.497 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 1.8 m-85 -116.6 137.35 52.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.99 179.425 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.544 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -119.56 127.65 53.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.148 0.499 . . . . 0.0 111.782 179.377 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.2 t -107.37 107.24 22.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.575 178.945 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.592 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 10.3 m -94.55 108.53 20.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.009 0.433 . . . . 0.0 111.678 -178.675 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.423 ' CB ' ' HA2' ' A' ' 9' ' ' GLY . 16.4 tp10 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.997 179.535 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.931 0.396 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -112.84 155.04 25.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.252 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -134.11 149.15 51.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.743 0.306 . . . . 0.0 110.988 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.844 ' O ' HG23 ' B' ' 51' ' ' THR . 4.8 ttmp? -107.8 110.88 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.504 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.712 ' HB ' HG23 ' A' ' 16' ' ' THR . 62.0 t -94.43 134.89 30.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.311 0.577 . . . . 0.0 111.385 -179.53 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.426 HG13 ' CG2' ' B' ' 51' ' ' THR . 74.0 mt -104.39 116.43 48.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.293 179.705 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.462 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.0 mt -94.9 85.09 4.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.523 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.681 ' O ' ' HA ' ' B' ' 55' ' ' THR . 33.5 t-20 -95.32 107.36 19.48 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.273 -178.094 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.414 ' HA3' ' HE1' ' B' ' 33' ' ' PHE . . . -116.51 -165.82 14.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.531 179.382 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' HG2' ' CG ' ' B' ' 56' ' ' GLU . 3.2 mmmp? -78.39 -57.8 3.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.042 0.449 . . . . 0.0 110.755 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.459 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 3.0 p -106.43 5.89 29.82 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.236 -179.556 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.997 HD13 ' HB ' ' B' ' 18' ' ' THR . 20.0 tp -136.98 136.27 38.38 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.085 0.469 . . . . 0.0 111.185 -179.502 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.47 ' H ' HD12 ' A' ' 12' ' ' LEU . 27.3 mtpp -145.21 145.62 31.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.015 179.803 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.535 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -179.36 -168.71 38.75 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 119.966 -1.111 . . . . 0.0 113.319 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -145.23 137.6 25.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.996 0.427 . . . . 0.0 110.543 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.757 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -134.08 168.37 18.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.895 -179.739 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.431 HG22 ' HA ' ' A' ' 4' ' ' LYS . 66.3 p -143.47 117.28 9.32 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -179.06 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.005 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.7 t -104.63 141.29 36.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.815 178.287 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -99.31 112.84 24.93 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.322 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.545 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -147.66 150.06 33.65 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.17 0.509 . . . . 0.0 112.116 -178.921 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.78 -29.79 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.079 -178.744 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.476 ' OD1' HG23 ' A' ' 25' ' ' THR . 6.5 p-10 -154.82 172.03 18.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.921 0.391 . . . . 0.0 111.486 179.687 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.454 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -57.43 -41.37 80.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.284 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.79 -54.56 33.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.435 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.867 ' O ' HG23 ' A' ' 29' ' ' VAL . 35.8 p -53.49 -44.28 68.88 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.208 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.797 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.84 -51.64 68.86 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.379 178.014 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 88.7 tt0 -54.85 -45.98 74.59 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.596 179.406 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -63.74 -47.2 82.0 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.209 179.406 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 25' ' ' THR . 96.2 t -53.9 -42.38 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.864 179.204 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 26' ' ' ALA . 40.2 t -62.05 -44.7 99.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.435 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.523 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 29.1 mmtp -46.8 -52.1 14.94 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.915 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -59.57 -38.07 80.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.685 179.266 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.889 ' CG ' HD23 ' B' ' 12' ' ' LEU . 52.5 t80 -53.86 -63.02 1.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.218 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -68.16 -39.12 82.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.669 179.233 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.515 ' ND2' HG21 ' B' ' 39' ' ' VAL . 34.1 t-20 -51.08 -39.16 55.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.343 0.592 . . . . 0.0 110.19 178.565 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.49 -22.84 17.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.464 -179.799 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.479 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.2 m-20 -80.35 -45.99 16.85 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.857 179.273 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.29 -116.4 0.0 OUTLIER Glycine 0 C--N 1.333 0.376 0 CA-C-N 114.824 -1.08 . . . . 0.0 115.464 179.772 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.66 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.9 t -110.19 4.51 8.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -176.138 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.42 13.63 8.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.631 -0.668 . . . . 0.0 112.092 -179.813 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.47 170.96 53.87 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.404 -0.903 . . . . 0.0 113.022 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 0.5 OUTLIER -97.32 105.68 17.88 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.207 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.574 ' HH2' HG12 ' B' ' 30' ' ' VAL . 7.5 m0 -103.64 123.92 47.87 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -178.183 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.498 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 64.7 p -112.0 138.39 48.71 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.882 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.498 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 9.2 t80 -111.7 145.27 39.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.932 0.396 . . . . 0.0 111.757 -178.754 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.463 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.7 t0 -123.45 82.82 2.05 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.78 179.507 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.428 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 14.4 m-20 -45.32 -34.68 3.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.898 -179.593 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.463 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.5 -34.56 17.41 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -178.716 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -128.21 16.64 6.65 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.5 mttp 47.9 36.88 6.58 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.002 0.43 . . . . 0.0 110.582 -179.563 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.845 HG23 ' O ' ' B' ' 4' ' ' LYS . 93.4 m -122.87 139.0 54.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.251 -179.213 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.5 m-85 -107.17 145.16 32.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.926 179.604 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.498 ' HG1' ' HG1' ' A' ' 44' ' ' THR . 2.9 p -117.26 121.48 41.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.162 0.506 . . . . 0.0 111.029 178.732 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.9 t -102.63 107.46 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.407 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.681 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 16.9 m -97.76 114.05 25.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.029 179.671 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.522 ' CG ' ' HG2' ' B' ' 10' ' ' LYS . 2.1 pp20? . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.173 -0.918 . . . . 0.0 111.419 -178.678 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 121.018 0.437 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -112.94 155.02 25.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.253 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -134.09 149.13 51.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 111.008 -179.77 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.845 ' O ' HG23 ' A' ' 51' ' ' THR . 4.8 ttmp? -107.73 110.85 22.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.503 179.794 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.712 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.8 t -94.47 134.9 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.347 0.594 . . . . 0.0 111.329 -179.511 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.43 HG13 ' CG2' ' A' ' 51' ' ' THR . 74.2 mt -104.43 116.53 48.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.301 179.698 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.0 mt -94.88 84.98 4.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.514 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.681 ' O ' ' HA ' ' A' ' 55' ' ' THR . 33.6 t-20 -95.24 107.31 19.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.32 -178.171 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.413 ' HA3' ' HE1' ' A' ' 33' ' ' PHE . . . -116.6 -165.78 14.14 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.419 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.522 ' HG2' ' CG ' ' A' ' 56' ' ' GLU . 3.2 mmmp? -78.3 -57.97 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.066 0.46 . . . . 0.0 110.689 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.46 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 3.0 p -106.36 5.9 29.98 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.245 -179.524 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 1.005 HD13 ' HB ' ' A' ' 18' ' ' THR . 19.9 tp -136.95 136.32 38.46 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.111 0.481 . . . . 0.0 111.169 -179.573 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.473 ' H ' HD12 ' B' ' 12' ' ' LEU . 27.4 mtpp -145.19 145.53 31.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.112 179.82 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.534 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -179.31 -168.61 38.57 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 119.96 -1.114 . . . . 0.0 113.308 -179.894 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -145.28 137.61 25.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.011 0.434 . . . . 0.0 110.53 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.757 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -134.03 168.48 18.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.888 -179.792 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.432 HG22 ' HA ' ' B' ' 4' ' ' LYS . 66.0 p -143.52 117.29 9.3 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -179.057 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.997 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.5 t -104.69 141.26 36.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.809 178.383 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -99.34 113.01 25.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.354 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.538 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -147.78 150.13 33.65 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 121.24 0.543 . . . . 0.0 112.19 -178.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.83 -29.82 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.11 -178.727 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.469 ' OD1' HG23 ' B' ' 25' ' ' THR . 6.4 p-10 -154.72 172.03 18.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.972 0.415 . . . . 0.0 111.489 179.659 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.453 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -57.45 -41.35 80.35 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.365 -179.714 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.78 -54.61 32.44 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.42 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.862 ' O ' HG23 ' B' ' 29' ' ' VAL . 36.2 p -53.29 -44.46 68.31 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.177 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.796 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.7 -51.74 68.51 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.418 177.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 88.7 tt0 -54.73 -46.2 74.21 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.536 179.39 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -63.57 -47.25 82.26 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.235 179.42 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.862 HG23 ' O ' ' B' ' 25' ' ' THR . 95.9 t -53.8 -42.54 52.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.895 179.138 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.796 HG23 ' O ' ' B' ' 26' ' ' ALA . 40.3 t -62.02 -44.71 99.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.453 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.524 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 29.1 mmtp -46.76 -52.14 14.71 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 121.226 0.536 . . . . 0.0 109.588 178.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -59.56 -38.18 80.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.636 179.287 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.881 ' CG ' HD23 ' A' ' 12' ' ' LEU . 52.1 t80 -53.72 -63.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.269 179.374 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -68.16 -39.15 82.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.653 179.259 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.516 ' ND2' HG21 ' A' ' 39' ' ' VAL . 34.3 t-20 -50.97 -39.1 54.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.461 0.648 . . . . 0.0 110.328 178.481 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.66 -22.88 17.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.332 -179.704 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.481 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.4 m-20 -80.28 -46.14 16.7 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.329 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.34 -116.32 0.0 OUTLIER Glycine 0 CA--C 1.52 0.367 0 CA-C-N 114.805 -1.089 . . . . 0.0 115.403 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.652 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.9 t -110.12 4.39 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 -176.125 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.45 13.72 8.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 118.56 0.618 . . . . 0.0 112.16 -179.814 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.45 170.94 53.87 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.037 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 0.5 OUTLIER -97.35 105.68 17.87 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.239 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.579 ' HH2' HG12 ' A' ' 30' ' ' VAL . 7.6 m0 -103.68 123.96 47.96 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -178.218 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.45 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 63.8 p -112.11 138.39 48.84 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.026 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.496 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 9.2 t80 -111.78 145.33 39.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.952 0.406 . . . . 0.0 111.756 -178.735 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.461 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.5 t0 -123.64 82.91 2.07 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.684 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.433 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 14.5 m-20 -45.42 -34.57 3.18 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.833 -179.568 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.461 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.62 -34.51 18.3 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -178.716 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 67.9 p -128.18 16.67 6.67 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 15.5 mttp 47.93 36.85 6.62 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.013 0.435 . . . . 0.0 110.551 -179.587 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.844 HG23 ' O ' ' A' ' 4' ' ' LYS . 93.3 m -122.86 139.05 54.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.265 -179.226 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.496 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.4 m-85 -107.22 145.1 33.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.976 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.45 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 2.8 p -117.2 121.52 41.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.17 0.51 . . . . 0.0 110.996 178.771 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.0 t -102.55 107.45 21.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.499 179.73 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.681 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 17.3 m -97.9 114.1 26.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.012 179.761 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.526 ' CG ' ' HG2' ' A' ' 10' ' ' LYS . 2.1 pp20? . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.234 -0.888 . . . . 0.0 111.483 -178.649 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.811 0.338 . . . . 0.0 111.332 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -107.61 144.35 34.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.504 179.718 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.427 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 17.2 m-85 -127.52 146.75 50.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.614 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.814 ' O ' HG23 ' B' ' 51' ' ' THR . 88.7 tttt -107.92 111.25 23.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.956 -179.668 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.602 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.3 t -94.78 127.7 46.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.284 0.564 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.407 ' HB ' HG22 ' B' ' 53' ' ' THR . 67.8 mt -101.71 122.2 53.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.427 ' CD1' ' CD1' ' B' ' 7' ' ' LEU . 8.8 mt -101.36 82.45 2.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.704 179.79 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.563 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.8 t-20 -93.65 109.83 21.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.881 -178.268 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.09 -168.21 13.99 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.951 179.329 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' NZ ' ' HB3' ' A' ' 10' ' ' LYS . 7.6 mtpm? -86.69 -56.94 3.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.05 0.452 . . . . 0.0 110.231 179.504 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.3 p -96.22 -5.65 39.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.638 179.414 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.962 HD13 ' HB ' ' B' ' 18' ' ' THR . 13.6 tp -134.88 135.75 41.87 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.047 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.545 ' H ' HD12 ' A' ' 12' ' ' LEU . 27.5 mtpp -144.85 144.34 31.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.543 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.87 -168.8 39.35 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.138 -1.03 . . . . 0.0 113.274 -179.897 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -145.66 151.97 38.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.875 0.369 . . . . 0.0 110.698 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.746 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -150.53 168.98 22.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.009 -179.47 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 4' ' ' LYS . 63.2 p -143.79 120.93 11.47 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -179.027 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.951 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.1 t -108.33 147.57 31.3 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.762 178.589 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -108.08 118.53 37.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.65 0.262 . . . . 0.0 110.389 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.24 152.12 35.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.19 0.519 . . . . 0.0 112.007 -179.34 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -50.9 -28.4 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.538 -179.229 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.458 ' OD1' HG23 ' A' ' 25' ' ' THR . 5.7 p-10 -153.01 170.79 19.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.976 0.417 . . . . 0.0 111.511 179.561 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.548 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -57.29 -41.65 80.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.341 -179.672 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.14 -55.32 26.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.045 179.238 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.9 ' O ' HG23 ' A' ' 29' ' ' VAL . 29.9 p -51.69 -45.06 63.35 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.396 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.653 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.83 -52.26 65.83 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.12 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.539 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 44.2 tt0 -52.81 -48.71 66.73 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.748 178.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -59.0 -40.72 85.75 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.732 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 25' ' ' THR . 62.7 t -60.77 -34.86 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.966 179.272 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 26' ' ' ALA . 10.6 t -67.29 -49.44 72.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.876 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 3.5 mptp? -47.27 -45.45 23.97 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.165 0.507 . . . . 0.0 109.925 178.354 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.549 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 64.0 tt0 -68.85 -39.79 79.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.717 179.329 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.886 ' CG ' HD23 ' B' ' 12' ' ' LEU . 65.3 t80 -51.3 -50.1 60.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.42 178.64 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.493 ' CE2' HG12 ' A' ' 30' ' ' VAL . 25.2 m-85 -77.19 -36.8 54.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.15 178.496 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.555 HD22 HG21 ' B' ' 39' ' ' VAL . 25.2 t-20 -50.52 -40.64 52.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.491 0.662 . . . . 0.0 109.755 178.16 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -94.52 -24.34 17.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.738 -1.119 . . . . 0.0 112.719 -179.356 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 90.7 m-20 -78.74 -46.61 18.54 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.442 178.718 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.57 -120.34 0.0 OUTLIER Glycine 0 C--N 1.335 0.508 0 CA-C-N 114.886 -1.052 . . . . 0.0 115.584 179.327 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 39' ' ' VAL . 43.0 t -111.41 4.57 8.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -176.592 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.41 12.27 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.812 -0.555 . . . . 0.0 111.971 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.44 174.25 54.3 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.571 -0.824 . . . . 0.0 113.078 -179.477 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -95.55 102.91 14.75 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.743 0.306 . . . . 0.0 110.515 179.591 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.535 ' HH2' HG12 ' B' ' 30' ' ' VAL . 6.4 m0 -102.89 122.05 43.75 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.39 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 51.7 p -105.19 133.79 49.38 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.563 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 15.7 t80 -111.03 144.9 39.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.024 0.44 . . . . 0.0 112.013 -178.491 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.47 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.4 t0 -123.79 81.72 1.94 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.241 178.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.12 -36.04 12.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 111.586 -179.329 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.47 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.24 -29.43 9.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.888 -179.485 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.5 p -128.27 11.4 6.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.597 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm 49.47 34.29 6.59 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.01 0.433 . . . . 0.0 110.752 -179.779 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.809 HG23 ' O ' ' B' ' 4' ' ' LYS . 97.4 m -120.51 136.77 54.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.95 -179.371 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.548 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 3.3 m-85 -106.29 144.6 32.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.159 179.62 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.407 HG22 ' HB ' ' B' ' 6' ' ' ILE . 2.9 p -121.25 128.54 52.49 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.213 0.53 . . . . 0.0 111.089 179.084 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.417 HG12 ' OD1' ' A' ' 37' ' ' ASN . 47.1 t -107.66 109.54 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.578 179.196 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.568 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 9.2 m -100.61 115.81 31.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.104 0.478 . . . . 0.0 111.718 -178.874 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.987 179.774 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.863 0.363 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -107.56 144.41 34.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.543 179.67 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.42 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 17.3 m-85 -127.47 146.8 50.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.664 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.809 ' O ' HG23 ' A' ' 51' ' ' THR . 88.6 tttt -107.93 111.3 23.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.0 -179.75 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.597 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.3 t -94.72 127.69 46.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.205 0.526 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.407 ' HB ' HG22 ' A' ' 53' ' ' THR . 67.8 mt -101.78 122.23 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 8.9 mt -101.38 82.29 2.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.722 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.568 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.6 t-20 -93.59 109.78 21.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.871 -178.201 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.03 -168.13 13.98 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.999 179.302 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.481 ' NZ ' ' HB3' ' B' ' 10' ' ' LYS . 7.7 mtpm? -86.75 -56.93 3.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.086 0.47 . . . . 0.0 110.214 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 16.5 p -96.24 -5.77 39.57 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.527 179.482 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.951 HD13 ' HB ' ' A' ' 18' ' ' THR . 13.4 tp -134.83 135.78 41.98 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 -179.771 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.545 ' H ' HD12 ' B' ' 12' ' ' LEU . 27.6 mtpp -144.85 144.34 31.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.517 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.87 -168.77 39.29 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.134 -1.032 . . . . 0.0 113.27 -179.908 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -145.72 151.91 38.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.751 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.753 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -150.52 169.01 22.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.998 -179.451 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.525 HG22 ' HA ' ' B' ' 4' ' ' LYS . 63.1 p -143.77 120.89 11.45 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -178.914 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.962 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.0 t -108.43 147.49 31.54 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.726 178.56 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -107.93 118.56 37.06 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.569 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -149.29 152.09 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.09 0.471 . . . . 0.0 112.07 -179.363 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.88 -28.51 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.437 -179.191 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.46 ' OD1' HG23 ' B' ' 25' ' ' THR . 5.8 p-10 -152.97 170.94 19.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 0.0 111.552 179.594 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.548 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -57.38 -41.63 80.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.327 -179.679 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.09 -55.53 24.63 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.313 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.9 ' O ' HG23 ' B' ' 29' ' ' VAL . 30.8 p -51.52 -45.16 62.82 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.442 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.651 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.8 -52.37 65.38 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.144 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.543 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 44.1 tt0 -52.79 -48.69 66.68 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.652 179.042 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -59.01 -40.73 85.84 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.899 179.714 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.9 HG23 ' O ' ' B' ' 25' ' ' THR . 62.4 t -60.74 -34.81 60.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.021 179.262 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.651 HG23 ' O ' ' B' ' 26' ' ' ALA . 10.7 t -67.4 -49.45 71.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.956 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.543 ' HD3' ' O ' ' B' ' 27' ' ' GLU . 3.5 mptp? -47.31 -45.49 24.38 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.302 0.572 . . . . 0.0 109.836 178.461 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.543 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 63.9 tt0 -68.88 -39.75 79.61 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.693 179.471 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.89 ' CG ' HD23 ' A' ' 12' ' ' LEU . 64.9 t80 -51.28 -50.01 60.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.508 178.495 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.499 ' CE2' HG12 ' B' ' 30' ' ' VAL . 25.2 m-85 -77.32 -36.85 53.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.99 178.6 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.559 HD22 HG21 ' A' ' 39' ' ' VAL . 25.0 t-20 -50.56 -40.66 52.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.553 0.692 . . . . 0.0 109.699 178.29 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -94.53 -24.22 17.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.812 -179.425 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 90.7 m-20 -78.87 -46.45 18.52 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.408 178.667 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.62 -120.34 0.0 OUTLIER Glycine 0 C--N 1.334 0.472 0 N-CA-C 115.55 0.98 . . . . 0.0 115.55 179.311 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' B' ' 39' ' ' VAL . 43.2 t -111.48 4.73 8.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -176.661 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.4 12.15 8.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.893 -0.504 . . . . 0.0 111.939 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.42 174.26 54.32 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.124 -179.504 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -95.6 102.66 14.48 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.736 0.303 . . . . 0.0 110.563 179.71 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.541 ' HH2' HG12 ' A' ' 30' ' ' VAL . 6.4 m0 -102.74 122.12 43.83 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.36 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.411 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 49.8 p -105.19 133.9 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 177.535 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 15.6 t80 -111.03 145.02 39.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.05 0.453 . . . . 0.0 112.017 -178.538 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.47 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.4 t0 -123.99 81.86 1.96 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.161 178.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.2 -36.05 12.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.567 -179.37 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.47 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.19 -29.42 9.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.864 -179.467 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 76.4 p -128.25 11.3 6.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.601 0.238 . . . . 0.0 111.577 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm 49.53 34.2 6.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.024 0.44 . . . . 0.0 110.761 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.814 HG23 ' O ' ' A' ' 4' ' ' LYS . 97.4 m -120.5 136.8 54.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.025 -179.496 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.548 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 3.3 m-85 -106.27 144.56 32.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.17 179.683 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.411 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 2.9 p -121.22 128.63 52.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.194 0.521 . . . . 0.0 111.083 179.112 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.414 HG12 ' OD1' ' B' ' 37' ' ' ASN . 47.4 t -107.74 109.6 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.563 179.226 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.563 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 9.4 m -100.59 115.86 31.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.949 0.404 . . . . 0.0 111.691 -178.792 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.92 179.878 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.809 0.338 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -101.99 135.86 42.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.673 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.412 ' O ' ' HA ' ' A' ' 17' ' ' THR . 74.5 m-85 -129.87 145.45 51.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.588 179.904 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' B' ' 51' ' ' THR . 38.5 ttpt -112.57 110.93 21.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.952 0.406 . . . . 0.0 110.547 179.829 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.707 HG13 ' O ' ' B' ' 52' ' ' PHE . 58.9 t -93.95 131.64 40.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.368 0.604 . . . . 0.0 111.091 -179.481 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.608 ' CD1' HG21 ' B' ' 51' ' ' THR . 82.9 mt -100.93 126.76 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.328 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.514 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.0 mt -105.85 85.79 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.324 -179.173 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.729 ' O ' ' HA ' ' B' ' 55' ' ' THR . 72.9 m-20 -89.87 102.07 14.77 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.416 -178.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.15 149.99 17.99 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.233 179.165 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -44.81 -56.6 4.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.886 0.374 . . . . 0.0 111.833 -179.598 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.474 ' HB ' HG11 ' B' ' 29' ' ' VAL . 9.5 p -99.42 -4.88 30.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.984 -178.762 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.939 HD13 ' HB ' ' B' ' 18' ' ' THR . 13.6 tp -135.25 136.44 41.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.663 0.268 . . . . 0.0 110.985 -179.532 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.562 ' H ' HD12 ' A' ' 12' ' ' LEU . 51.2 mtmt -145.34 144.72 30.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.521 179.623 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.546 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.8 -168.75 39.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.073 -1.061 . . . . 0.0 113.55 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.418 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 54.4 mp0 -143.78 140.18 29.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.864 0.364 . . . . 0.0 110.382 179.708 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.794 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -137.86 168.79 18.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.189 -179.611 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 4' ' ' LYS . 72.3 p -143.75 119.55 10.54 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.906 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.94 ' HB ' HD13 ' B' ' 12' ' ' LEU . 8.9 t -108.15 144.2 35.88 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.581 178.757 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -103.77 115.24 30.11 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 179.607 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.653 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -147.55 149.94 33.55 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 121.232 0.539 . . . . 0.0 111.984 -179.264 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.5 t -51.06 -36.98 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.965 -178.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.67 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -146.18 171.86 14.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.941 0.401 . . . . 0.0 111.161 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.85 87.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.506 -179.447 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.07 -55.02 33.31 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.566 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.872 ' O ' HG23 ' A' ' 29' ' ' VAL . 76.1 p -51.9 -46.02 64.43 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.361 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.12 -53.79 54.34 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.816 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.479 ' OE2' ' CE3' ' B' ' 43' ' ' TRP . 15.7 tp10 -49.19 -48.61 45.09 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.593 178.621 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -64.17 -45.76 86.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.28 179.397 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 25' ' ' THR . 84.6 t -59.87 -40.05 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.273 179.294 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 26' ' ' ALA . 46.7 t -66.57 -49.3 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.523 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 10.0 mtpm? -49.62 -43.78 46.89 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.047 0.451 . . . . 0.0 110.003 178.666 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.405 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 35.0 tp60 -60.41 -35.87 76.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.327 178.847 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.81 ' CG ' HD23 ' B' ' 12' ' ' LEU . 23.1 t80 -54.13 -63.71 1.06 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.142 179.207 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.479 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 23.8 m-85 -68.3 -39.78 81.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.546 179.486 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.462 HD22 HG22 ' B' ' 39' ' ' VAL . 28.9 t-20 -51.08 -38.09 49.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.523 0.678 . . . . 0.0 109.503 178.336 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -94.51 -26.03 16.6 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 114.752 -1.113 . . . . 0.0 112.606 -179.622 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.458 ' O ' ' C ' ' A' ' 38' ' ' GLY . 86.9 m-20 -77.33 -43.35 33.32 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.186 0.517 . . . . 0.0 109.818 179.148 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.85 -117.97 0.0 OUTLIER Glycine 0 C--N 1.332 0.324 0 CA-C-N 114.43 -1.259 . . . . 0.0 115.666 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.478 HG22 HD22 ' B' ' 35' ' ' ASN . 69.9 t -84.34 -55.53 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -176.005 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -88.21 25.89 1.52 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -177.12 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.73 159.26 53.76 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 119.895 -1.145 . . . . 0.0 112.01 179.404 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -90.43 98.74 11.95 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.814 0.307 . . . . 0.0 110.306 179.528 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.549 ' CH2' HG12 ' B' ' 30' ' ' VAL . 5.4 m0 -101.36 120.74 40.72 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.368 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.2 p -104.35 133.44 49.24 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.814 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.501 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 14.2 t80 -108.69 141.97 39.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.036 0.446 . . . . 0.0 111.868 -178.851 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -123.59 81.41 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.353 178.944 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.11 -34.37 5.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.545 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.03 -32.52 15.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.025 -179.402 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -128.1 13.02 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.686 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm 53.58 31.94 13.45 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.829 0.347 . . . . 0.0 110.422 -179.777 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.602 HG21 ' CD1' ' B' ' 6' ' ' ILE . 96.8 m -111.78 136.3 51.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.637 -178.896 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.71 ' O ' HG13 ' B' ' 5' ' ' VAL . 4.8 m-85 -108.7 95.35 5.59 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.232 0.539 . . . . 0.0 111.693 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.5 p -75.42 127.27 32.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.891 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -117.86 121.74 68.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.462 178.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.737 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 19.4 m -117.25 128.77 55.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.89 0.376 . . . . 0.0 111.636 -179.108 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.864 -179.75 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.947 0.403 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -102.08 135.98 42.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.586 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' B' ' 17' ' ' THR . 75.8 m-85 -129.98 145.75 51.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.542 179.882 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 51' ' ' THR . 38.5 ttpt -112.77 110.92 21.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.538 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 52' ' ' PHE . 57.8 t -93.91 131.67 40.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.274 0.559 . . . . 0.0 111.147 -179.528 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.602 ' CD1' HG21 ' A' ' 51' ' ' THR . 82.6 mt -100.91 126.68 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.326 179.633 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.2 mt -105.92 85.89 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.355 -179.274 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.737 ' O ' ' HA ' ' A' ' 55' ' ' THR . 72.8 m-20 -89.74 102.03 14.72 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.386 -178.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.02 150.1 18.01 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.25 179.084 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -44.99 -56.55 4.52 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.472 ' HB ' HG11 ' A' ' 29' ' ' VAL . 9.7 p -99.31 -5.2 30.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.007 -178.748 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.94 HD13 ' HB ' ' A' ' 18' ' ' THR . 13.6 tp -134.99 136.51 42.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.639 0.256 . . . . 0.0 111.03 -179.543 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.562 ' H ' HD12 ' B' ' 12' ' ' LEU . 51.4 mtmt -145.43 144.61 30.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.517 179.685 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.543 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.9 -169.0 39.64 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.069 -1.063 . . . . 0.0 113.599 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 54.5 mp0 -143.67 140.08 29.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.024 0.44 . . . . 0.0 110.277 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.794 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -137.64 168.84 18.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.22 -179.606 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.493 HG22 ' HA ' ' B' ' 4' ' ' LYS . 72.5 p -143.83 119.64 10.55 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -178.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.939 ' HB ' HD13 ' A' ' 12' ' ' LEU . 8.9 t -108.26 144.08 36.22 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.65 178.684 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -103.73 115.19 30.03 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.665 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.647 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -147.52 149.92 33.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.19 0.519 . . . . 0.0 112.041 -179.245 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.4 t -51.17 -36.78 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.993 -178.781 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.671 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -146.19 171.81 14.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.776 0.322 . . . . 0.0 111.287 179.64 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.99 87.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.518 -179.441 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.8 -55.3 31.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.501 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.872 ' O ' HG23 ' B' ' 29' ' ' VAL . 74.8 p -51.67 -46.12 63.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.411 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.764 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.14 -53.64 55.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.885 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.473 ' OE2' ' CE3' ' A' ' 43' ' ' TRP . 15.7 tp10 -49.27 -48.48 45.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.55 178.627 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -64.32 -45.53 87.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.388 179.373 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.872 HG23 ' O ' ' B' ' 25' ' ' THR . 84.3 t -60.1 -40.02 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.202 179.256 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.764 HG23 ' O ' ' B' ' 26' ' ' ALA . 46.7 t -66.63 -49.34 75.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.553 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.507 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 10.0 mtpm? -49.61 -43.81 46.79 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 121.036 0.446 . . . . 0.0 109.954 178.697 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.403 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 35.0 tp60 -60.27 -35.87 76.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.37 178.781 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.803 ' CG ' HD23 ' A' ' 12' ' ' LEU . 23.4 t80 -54.22 -63.71 1.06 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.024 179.264 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.479 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 23.8 m-85 -68.35 -39.72 81.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.488 179.595 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.478 HD22 HG22 ' A' ' 39' ' ' VAL . 28.9 t-20 -51.05 -38.24 50.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.505 0.669 . . . . 0.0 109.416 178.335 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -94.47 -25.89 16.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.594 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' B' ' 38' ' ' GLY . 86.9 m-20 -77.53 -43.26 32.6 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.119 0.485 . . . . 0.0 109.701 179.263 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.93 -117.97 0.0 OUTLIER Glycine 0 C--N 1.331 0.272 0 CA-C-N 114.48 -1.236 . . . . 0.0 115.685 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.462 HG22 HD22 ' A' ' 35' ' ' ASN . 68.8 t -84.3 -55.21 7.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 -175.985 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -88.57 25.89 1.6 Allowed 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -177.186 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.57 159.28 53.68 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 119.889 -1.148 . . . . 0.0 112.078 179.286 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -90.6 98.69 11.92 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.825 0.313 . . . . 0.0 110.306 179.607 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.549 ' CH2' HG12 ' A' ' 30' ' ' VAL . 5.4 m0 -101.08 120.74 40.64 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -178.43 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 67.3 p -104.34 133.79 48.64 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.723 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 14.2 t80 -109.02 141.98 40.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.111 0.481 . . . . 0.0 111.834 -178.914 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -123.59 81.45 1.9 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.227 179.073 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.02 -34.49 5.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.551 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.1 -32.42 15.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.016 -179.23 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 72.4 p -128.0 12.88 6.74 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.752 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm 53.63 31.91 13.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.851 0.358 . . . . 0.0 110.484 -179.733 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.608 HG21 ' CD1' ' A' ' 6' ' ' ILE . 96.3 m -111.69 136.32 51.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.585 -178.895 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.707 ' O ' HG13 ' A' ' 5' ' ' VAL . 4.9 m-85 -108.82 95.51 5.7 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.322 0.582 . . . . 0.0 111.63 179.679 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.6 p -75.41 126.97 32.09 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.965 179.703 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -117.72 121.94 68.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.383 178.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.729 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 19.5 m -117.28 128.76 55.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 0.0 111.582 -179.032 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.946 -179.754 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.403 ' HE2' ' OH ' ' A' ' 3' ' ' TYR . 46.4 ttp . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.756 0.312 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -98.92 136.96 38.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.035 179.309 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.44 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 19.8 m-85 -127.25 143.45 51.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.947 0.403 . . . . 0.0 111.027 -179.626 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.823 ' O ' HG23 ' B' ' 51' ' ' THR . 62.5 tttp -108.75 109.82 21.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.412 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.681 HG13 ' O ' ' B' ' 52' ' ' PHE . 61.7 t -94.84 137.56 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.06 0.457 . . . . 0.0 111.12 -179.701 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.438 HG13 ' CG2' ' B' ' 51' ' ' THR . 82.8 mt -109.1 125.8 66.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.246 179.483 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.478 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.2 mt -102.2 82.31 2.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.804 -179.675 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.687 ' O ' ' HA ' ' B' ' 55' ' ' THR . 30.2 t-20 -91.5 108.95 20.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.692 -178.457 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.82 -169.29 15.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.139 179.347 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -80.76 -53.27 6.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.921 0.391 . . . . 0.0 110.309 179.407 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.431 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 17.5 p -104.84 1.08 28.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.042 -179.791 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.002 HD13 ' HB ' ' B' ' 18' ' ' THR . 20.9 tp -137.98 137.4 37.88 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.043 0.449 . . . . 0.0 111.682 -179.07 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.486 ' H ' HD12 ' A' ' 12' ' ' LEU . 1.2 mptp? -142.56 144.75 33.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.935 179.284 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.431 ' HA3' ' HB ' ' B' ' 16' ' ' THR . . . -173.28 -176.82 42.08 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 119.91 -1.138 . . . . 0.0 113.505 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -140.71 135.27 31.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.279 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.796 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -137.27 166.87 22.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.342 -179.182 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 4' ' ' LYS . 54.8 p -143.77 119.55 10.53 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -179.12 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.997 ' HB ' HD13 ' B' ' 12' ' ' LEU . 15.4 t -108.14 146.19 33.05 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.961 178.939 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -106.23 117.01 32.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.678 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.613 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -148.41 150.58 33.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.171 0.51 . . . . 0.0 111.891 -179.737 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.2 t -50.84 -27.19 4.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.067 -178.83 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.582 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -153.9 175.46 13.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.0 111.319 179.592 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.61 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -60.26 -42.87 96.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.397 -179.595 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -62.82 -55.26 27.95 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.6 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.87 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.9 p -50.68 -45.6 58.27 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.247 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.692 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.97 -54.38 46.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.292 177.949 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.501 ' OE2' ' HD3' ' A' ' 31' ' ' LYS . 5.1 tm-20 -52.82 -46.39 67.71 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.367 179.004 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 74.7 mmtt -62.25 -43.93 97.71 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.28 179.15 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 25' ' ' THR . 95.8 t -59.03 -39.03 77.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.136 179.137 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 26' ' ' ALA . 38.9 t -64.13 -47.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.486 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HD3' ' OE2' ' A' ' 27' ' ' GLU . 32.0 mmmt -47.46 -50.09 23.91 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.219 0.533 . . . . 0.0 109.843 178.85 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.2 tp60 -59.32 -37.95 79.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.642 179.411 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.925 ' CG ' HD23 ' B' ' 12' ' ' LEU . 42.7 t80 -53.37 -64.23 0.89 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.102 179.108 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -67.46 -39.15 85.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.633 179.358 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 31.7 t-20 -50.78 -38.78 50.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.475 0.655 . . . . 0.0 109.912 178.519 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -94.3 -23.28 17.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.931 -1.031 . . . . 0.0 112.501 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.468 ' O ' ' C ' ' A' ' 38' ' ' GLY . 22.4 m120 -80.64 -46.41 15.68 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.953 179.324 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.99 -115.66 0.0 OUTLIER Glycine 0 C--N 1.333 0.362 0 N-CA-C 115.612 1.005 . . . . 0.0 115.612 179.831 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 39' ' ' VAL . 26.0 t -105.85 0.05 10.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -176.072 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.79 15.0 8.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 119.064 0.847 . . . . 0.0 112.208 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.99 166.67 53.06 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.62 -0.8 . . . . 0.0 113.406 -179.387 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 45.1 mp0 -94.8 100.7 12.55 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.245 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.532 ' HH2' HG12 ' B' ' 30' ' ' VAL . 8.0 m0 -99.98 121.6 41.61 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -178.117 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.8 p -101.39 134.49 44.4 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.097 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.532 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 3.7 t80 -107.87 137.79 45.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.792 0.33 . . . . 0.0 111.44 -178.769 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -123.42 81.78 1.93 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.51 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.426 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 7.5 m-20 -46.82 -36.33 7.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.441 -179.652 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.41 -32.08 25.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.089 -179.29 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.1 p -123.04 11.59 9.55 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.313 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HA ' ' CE ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER 50.26 36.83 13.53 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.852 0.358 . . . . 0.0 110.728 179.862 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.827 HG23 ' O ' ' B' ' 4' ' ' LYS . 99.5 m -123.66 143.49 50.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.8 -178.66 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.681 ' O ' HG13 ' B' ' 5' ' ' VAL . 90.0 m-85 -111.46 94.91 5.2 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.274 0.559 . . . . 0.0 111.846 179.696 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -72.74 127.6 33.04 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.252 179.4 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.2 t -111.99 111.05 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.237 179.602 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.685 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 29.8 m -103.36 118.99 38.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.561 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.406 ' HG3' ' HA2' ' B' ' 9' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.832 -179.66 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.6 ttp . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.857 0.361 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -98.86 136.95 38.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.983 179.357 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.445 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 19.9 m-85 -127.33 143.48 51.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.888 0.375 . . . . 0.0 111.083 -179.641 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.827 ' O ' HG23 ' A' ' 51' ' ' THR . 62.4 tttp -108.85 109.77 20.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.377 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.681 HG13 ' O ' ' A' ' 52' ' ' PHE . 61.4 t -94.74 137.56 22.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.067 0.46 . . . . 0.0 111.01 -179.669 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.433 HG13 ' CG2' ' A' ' 51' ' ' THR . 82.8 mt -109.01 125.97 66.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.249 179.348 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.2 mt -102.35 82.21 2.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.864 -179.762 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.685 ' O ' ' HA ' ' A' ' 55' ' ' THR . 30.4 t-20 -91.42 108.91 20.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.758 -178.466 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.406 ' HA2' ' HG3' ' A' ' 56' ' ' GLU . . . -116.85 -169.34 15.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.123 179.473 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -80.83 -53.16 6.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.971 0.415 . . . . 0.0 110.303 179.42 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.432 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 17.5 p -104.92 1.06 28.49 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.029 -179.775 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.997 HD13 ' HB ' ' A' ' 18' ' ' THR . 21.3 tp -137.93 137.53 38.09 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.054 0.454 . . . . 0.0 111.657 -179.07 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.482 ' H ' HD12 ' B' ' 12' ' ' LEU . 1.2 mptp? -142.62 144.74 32.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.902 179.318 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.433 ' HA3' ' HB ' ' A' ' 16' ' ' THR . . . -173.25 -176.88 42.09 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 119.943 -1.123 . . . . 0.0 113.433 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -140.71 135.34 31.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 110.302 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.795 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -137.36 166.9 22.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.271 -179.204 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.525 HG22 ' HA ' ' B' ' 4' ' ' LYS . 56.3 p -143.75 119.43 10.46 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -179.117 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 18' ' ' THR . . . . . 1.002 ' HB ' HD13 ' A' ' 12' ' ' LEU . 15.3 t -107.98 146.39 32.54 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.984 178.912 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -106.48 116.95 32.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.657 0.265 . . . . 0.0 110.652 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.614 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -148.15 150.5 33.92 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.122 0.487 . . . . 0.0 111.906 -179.684 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.2 t -50.82 -27.18 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.012 -178.874 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.581 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -153.99 175.38 13.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.794 0.331 . . . . 0.0 111.298 179.646 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.61 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -60.2 -42.9 96.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.429 -179.556 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -62.69 -55.34 27.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.435 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.873 ' O ' HG23 ' B' ' 29' ' ' VAL . 51.6 p -50.54 -45.76 57.04 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.198 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.704 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.0 -54.44 46.08 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.208 178.017 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.507 ' OE2' ' HD3' ' B' ' 31' ' ' LYS . 5.1 tm-20 -52.83 -46.34 67.72 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.255 179.073 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' B' ' 24' ' ' ALA . 74.7 mmtt -62.26 -44.2 97.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.204 179.272 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.873 HG23 ' O ' ' B' ' 25' ' ' THR . 97.0 t -58.78 -39.09 75.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.087 179.24 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 26' ' ' ALA . 38.9 t -64.06 -47.59 89.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.455 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.507 ' HD3' ' OE2' ' B' ' 27' ' ' GLU . 31.9 mmmt -47.4 -50.08 23.33 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.199 0.523 . . . . 0.0 109.882 178.821 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 32.0 tp60 -59.39 -38.0 79.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.699 179.404 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.918 ' CG ' HD23 ' A' ' 12' ' ' LEU . 42.7 t80 -53.37 -64.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.05 179.105 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -67.48 -39.14 85.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.593 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' B' ' 31' ' ' LYS . 32.0 t-20 -50.93 -38.73 51.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.413 0.625 . . . . 0.0 109.912 178.533 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -94.33 -23.17 17.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.406 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' B' ' 38' ' ' GLY . 22.6 m120 -80.77 -46.34 15.57 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.605 -0.438 . . . . 0.0 109.958 179.311 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.19 -115.53 0.0 OUTLIER Glycine 0 CA--C 1.52 0.38 0 CA-C-N 114.99 -1.004 . . . . 0.0 115.463 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.628 HG12 ' O ' ' B' ' 39' ' ' VAL . 25.5 t -105.82 -0.13 10.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -176.09 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.72 15.21 8.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 119.113 0.87 . . . . 0.0 112.041 -179.767 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.94 166.67 53.11 Favored Glycine 0 CA--C 1.519 0.344 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.298 -179.462 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.459 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 45.2 mp0 -94.68 100.97 12.81 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.231 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.537 ' HH2' HG12 ' A' ' 30' ' ' VAL . 7.9 m0 -100.22 121.49 41.53 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -178.249 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 65.0 p -101.31 134.42 44.4 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.11 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.535 ' CD1' ' CE1' ' B' ' 52' ' ' PHE . 3.8 t80 -107.79 137.78 45.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.719 0.295 . . . . 0.0 111.511 -178.834 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -123.37 81.64 1.91 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.668 179.525 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.424 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 7.5 m-20 -46.74 -36.32 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.428 -179.507 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.4 -31.98 24.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.169 -179.298 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.7 p -123.1 11.55 9.51 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.245 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.425 ' CE ' ' HA ' ' B' ' 50' ' ' LYS . 0.0 OUTLIER 50.26 36.88 13.65 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.802 0.334 . . . . 0.0 110.707 179.843 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.823 HG23 ' O ' ' A' ' 4' ' ' LYS . 99.7 m -123.71 143.6 50.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.83 -178.732 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.681 ' O ' HG13 ' A' ' 5' ' ' VAL . 89.8 m-85 -111.51 94.96 5.23 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.12 0.486 . . . . 0.0 111.894 179.69 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -72.73 127.77 33.54 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.316 179.426 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 67.3 t -112.16 111.04 34.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.199 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.687 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 30.4 m -103.49 119.01 38.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 -179.432 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.148 -0.929 . . . . 0.0 110.762 -179.64 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.3 mtp . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.993 0.425 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -106.02 142.91 34.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.9 179.13 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -123.7 147.29 47.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.98 0.419 . . . . 0.0 111.204 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.746 ' O ' HG23 ' B' ' 51' ' ' THR . 0.1 OUTLIER -96.55 108.62 21.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.558 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.619 ' HB ' HG23 ' A' ' 16' ' ' THR . 75.9 t -97.32 116.89 40.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.135 0.493 . . . . 0.0 110.22 179.491 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' B' ' 53' ' ' THR . 62.1 mt -101.86 126.1 55.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.507 -179.085 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.581 HD21 ' CZ ' ' A' ' 34' ' ' PHE . 47.4 mt -107.35 91.93 3.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.24 179.799 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.736 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.5 m120 -100.13 109.25 21.52 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.285 -179.087 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.38 -169.76 15.46 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.714 178.837 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -85.68 -53.37 5.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.239 0.543 . . . . 0.0 110.0 179.204 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.596 ' HB ' HG11 ' B' ' 29' ' ' VAL . 10.0 p -98.89 -5.55 30.61 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.78 179.793 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.955 HD13 ' HB ' ' B' ' 18' ' ' THR . 16.4 tp -135.45 135.76 40.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.194 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.515 ' H ' HD12 ' A' ' 12' ' ' LEU . 58.4 mttp -145.03 144.39 30.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.171 179.875 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.552 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -179.68 -168.35 38.37 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 119.911 -1.138 . . . . 0.0 113.596 -179.856 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -145.82 142.38 28.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.956 0.407 . . . . 0.0 110.81 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.719 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -141.38 169.09 18.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.815 -179.652 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.455 ' O ' HD12 ' B' ' 12' ' ' LEU . 67.9 p -143.42 121.97 12.48 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -178.589 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.954 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.6 t -108.97 146.13 34.35 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.588 178.451 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -107.33 116.28 31.66 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 179.666 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.73 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -145.05 149.29 34.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.145 0.498 . . . . 0.0 111.85 -179.556 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.5 t -50.97 -26.68 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.802 -179.012 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.479 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -155.89 178.41 10.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.866 0.365 . . . . 0.0 111.467 179.636 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.92 99.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.431 -179.62 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.51 -54.84 37.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.088 179.354 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.851 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.9 p -50.5 -45.34 56.38 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.283 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.779 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -58.44 -51.63 69.05 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.284 177.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.66 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 17.0 tp10 -50.09 -51.19 44.79 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.743 179.127 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -64.39 -49.25 72.33 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 179.475 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 25' ' ' THR . 63.7 t -54.97 -41.78 60.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.02 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 26' ' ' ALA . 66.6 t -66.68 -49.51 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 177.685 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.66 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 4.3 mmmp? -46.77 -49.28 20.02 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.484 178.625 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -61.39 -34.44 75.33 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.277 -179.126 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.845 ' CG ' HD23 ' B' ' 12' ' ' LEU . 24.8 t80 -51.61 -72.21 0.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.11 179.206 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.581 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 31.3 m-85 -61.61 -37.47 84.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.616 ' ND2' HG22 ' B' ' 39' ' ' VAL . 28.4 t-20 -51.27 -38.67 54.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.434 0.635 . . . . 0.0 109.793 178.655 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.52 -24.12 17.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.525 -179.892 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' GLY . 85.0 m-20 -80.15 -43.18 22.06 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.014 0.435 . . . . 0.0 110.351 179.795 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.88 -114.6 0.0 OUTLIER Glycine 0 CA--C 1.521 0.411 0 CA-C-N 114.676 -1.147 . . . . 0.0 115.785 -179.847 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.611 HG22 ' ND2' ' B' ' 35' ' ' ASN . 96.2 t -82.01 -55.38 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 -176.041 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -89.9 25.48 2.08 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -177.29 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.1 144.5 47.98 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.163 -1.018 . . . . 0.0 112.407 179.537 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -80.85 93.55 6.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.754 0.311 . . . . 0.0 110.328 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.611 ' CH2' HG12 ' B' ' 30' ' ' VAL . 6.1 m0 -106.52 133.9 50.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.959 -178.873 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.0 p -113.13 143.88 43.61 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 177.806 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 9.5 t80 -112.72 142.85 44.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.066 0.46 . . . . 0.0 111.906 -178.599 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -123.32 85.45 2.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.488 179.509 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 13.7 m-20 -46.73 -38.21 9.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.798 -179.374 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.86 -31.99 13.32 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.066 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.9 p -128.39 12.43 6.48 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.843 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 mttt 47.98 35.46 5.08 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.899 0.381 . . . . 0.0 110.655 -179.557 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.742 HG23 ' O ' ' B' ' 4' ' ' LYS . 87.4 m -116.75 141.7 47.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.454 -179.325 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.494 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.0 m-85 -112.48 144.47 41.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.97 179.377 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 3.1 p -122.35 128.8 51.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.145 0.498 . . . . 0.0 111.579 179.486 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.477 HG22 ' CG ' ' A' ' 43' ' ' TRP . 59.0 t -108.07 112.39 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.164 179.388 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.737 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 45.5 m -103.75 118.35 36.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.67 -179.059 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' OE1' ' C ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.482 -179.87 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.4 mtp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.932 0.396 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -105.95 142.82 35.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.954 179.168 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -123.6 147.38 47.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.006 0.431 . . . . 0.0 111.182 -179.748 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.742 ' O ' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -96.63 108.66 21.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.565 179.927 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.622 ' HB ' HG23 ' B' ' 16' ' ' THR . 73.7 t -97.31 116.91 40.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.089 0.471 . . . . 0.0 110.247 179.467 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 53' ' ' THR . 62.7 mt -101.88 126.12 55.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.506 -179.021 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.582 HD21 ' CZ ' ' B' ' 34' ' ' PHE . 48.1 mt -107.46 92.08 3.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.117 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.737 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.5 m120 -100.22 109.28 21.52 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.222 -179.069 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.46 -169.59 15.37 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.689 178.812 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' B' ' 10' ' ' LYS . 0.7 OUTLIER -85.77 -53.43 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.224 0.535 . . . . 0.0 109.901 179.303 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.587 ' HB ' HG11 ' A' ' 29' ' ' VAL . 10.1 p -98.97 -5.48 30.48 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.744 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.954 HD13 ' HB ' ' A' ' 18' ' ' THR . 16.2 tp -135.51 135.72 40.65 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.017 0.437 . . . . 0.0 111.159 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.511 ' H ' HD12 ' B' ' 12' ' ' LEU . 58.5 mttp -144.95 144.54 31.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.112 179.793 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.55 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -179.69 -168.34 38.36 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 119.889 -1.148 . . . . 0.0 113.632 -179.856 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -145.86 142.29 28.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.936 0.398 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.715 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -141.41 169.02 18.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.883 -179.656 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.452 ' O ' HD12 ' A' ' 12' ' ' LEU . 66.6 p -143.39 122.02 12.54 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.632 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.955 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.6 t -108.83 146.1 34.2 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.74 178.421 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -107.34 116.31 31.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 179.745 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.728 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -145.17 149.25 34.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.203 0.525 . . . . 0.0 111.789 -179.526 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.8 t -50.98 -26.71 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.753 -178.923 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.479 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -155.75 178.5 10.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.796 0.331 . . . . 0.0 111.533 179.559 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.07 99.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.346 -179.676 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.46 -54.93 36.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.936 179.532 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.847 ' O ' HG23 ' B' ' 29' ' ' VAL . 52.2 p -50.47 -45.39 56.17 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.351 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.785 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -58.55 -51.58 69.27 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.211 178.108 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.663 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 17.0 tp10 -50.12 -51.22 44.85 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.699 179.131 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -64.31 -49.34 72.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.752 179.43 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.847 HG23 ' O ' ' B' ' 25' ' ' THR . 62.9 t -55.07 -41.66 60.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.05 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.785 HG23 ' O ' ' B' ' 26' ' ' ALA . 66.6 t -66.66 -49.49 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 177.665 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.663 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 4.2 mmmp? -46.84 -49.31 20.31 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.463 178.672 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -61.27 -34.53 75.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.294 -179.175 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.841 ' CG ' HD23 ' A' ' 12' ' ' LEU . 24.3 t80 -51.57 -72.32 0.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.141 179.202 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.582 ' CZ ' HD21 ' B' ' 7' ' ' LEU . 31.1 m-85 -61.52 -37.38 83.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.986 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.611 ' ND2' HG22 ' A' ' 39' ' ' VAL . 28.2 t-20 -51.24 -38.86 54.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.506 0.67 . . . . 0.0 109.733 178.642 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.5 -24.07 17.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.749 -1.114 . . . . 0.0 112.496 -179.773 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' B' ' 38' ' ' GLY . 84.9 m-20 -80.13 -43.29 21.91 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.089 0.471 . . . . 0.0 110.29 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.85 -114.58 0.0 OUTLIER Glycine 0 CA--C 1.52 0.405 0 CA-C-N 114.752 -1.113 . . . . 0.0 115.824 -179.837 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.616 HG22 ' ND2' ' A' ' 35' ' ' ASN . 96.2 t -82.06 -55.46 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 -175.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -89.78 25.32 2.09 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -177.315 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.99 144.5 48.15 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.091 -1.052 . . . . 0.0 112.473 179.531 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -80.78 93.59 6.25 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.742 0.306 . . . . 0.0 110.394 179.475 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.606 ' CH2' HG12 ' A' ' 30' ' ' VAL . 6.0 m0 -106.56 133.95 50.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.009 -178.951 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 44.7 p -113.09 143.82 43.69 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.83 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.492 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 9.4 t80 -112.69 142.87 44.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.07 0.462 . . . . 0.0 112.03 -178.673 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -123.22 85.45 2.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.473 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.418 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 13.6 m-20 -46.64 -38.34 9.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.804 -179.417 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.9 -31.98 13.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 112.044 -178.943 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 67.9 p -128.31 12.43 6.52 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.874 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 28.1 mttt 47.99 35.47 5.1 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.903 0.382 . . . . 0.0 110.625 -179.536 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 4' ' ' LYS . 87.3 m -116.74 141.65 47.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.516 -179.347 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.492 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 2.0 m-85 -112.4 144.53 41.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.965 179.373 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.1 p -122.3 128.95 51.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.029 0.442 . . . . 0.0 111.554 179.449 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.481 HG22 ' CG ' ' B' ' 43' ' ' TRP . 60.4 t -108.22 112.37 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.074 179.445 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.736 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 46.3 m -103.69 118.48 36.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.695 -179.156 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.415 ' C ' ' OE1' ' B' ' 56' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.523 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.47 ' HG2' ' N ' ' A' ' 2' ' ' GLN . 28.0 ttt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.947 0.404 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.47 ' N ' ' HG2' ' A' ' 1' ' ' MET . 1.2 tm0? -95.86 128.94 43.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.99 179.465 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' A' ' 1' ' ' MET . 73.6 m-85 -125.42 142.05 51.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.818 0.342 . . . . 0.0 110.785 -179.736 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.853 ' O ' HG23 ' B' ' 51' ' ' THR . 4.8 ttmp? -105.54 112.73 25.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.956 -179.744 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.697 HG21 HG21 ' A' ' 30' ' ' VAL . 69.7 t -95.28 133.26 36.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.117 0.484 . . . . 0.0 110.473 179.56 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.559 ' HB ' HG22 ' B' ' 53' ' ' THR . 70.0 mt -107.98 124.48 64.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.158 -179.299 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.494 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 15.9 mt -105.67 84.8 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.122 0.487 . . . . 0.0 110.218 -179.814 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.769 ' O ' ' HA ' ' B' ' 55' ' ' THR . 73.0 m-20 -93.81 108.82 20.54 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.359 -179.158 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.55 -167.47 14.7 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.043 178.905 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.63 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.1 mmpt? -82.3 -54.97 4.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.081 0.467 . . . . 0.0 110.127 179.52 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.462 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 14.5 p -102.64 -0.97 31.04 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.304 -179.74 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.931 HD13 ' HB ' ' B' ' 18' ' ' THR . 24.6 tp -137.0 136.61 38.62 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.102 0.477 . . . . 0.0 111.478 -179.499 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.467 ' H ' HD12 ' A' ' 12' ' ' LEU . 96.0 mttt -145.25 145.27 31.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.157 179.496 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.511 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.34 -176.69 43.82 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 119.896 -1.145 . . . . 0.0 113.499 -179.695 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -136.56 135.05 38.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.31 . . . . 0.0 110.283 179.52 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.795 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -135.34 167.0 21.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.053 -179.713 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.495 ' O ' HD12 ' B' ' 12' ' ' LEU . 69.4 p -143.72 122.8 12.87 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.807 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.949 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.2 t -111.55 145.9 38.28 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.498 178.562 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -107.91 117.11 33.26 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 179.796 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.634 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -146.75 152.39 38.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.199 0.523 . . . . 0.0 111.835 -179.412 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.7 t -50.61 -25.29 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.946 -178.787 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.645 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -157.15 174.91 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 111.318 179.307 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.551 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -60.2 -41.87 93.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.521 -179.454 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.6 -54.11 41.08 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.35 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.846 ' O ' HG23 ' A' ' 29' ' ' VAL . 58.6 p -50.13 -45.55 53.07 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.378 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.847 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.44 -49.99 75.38 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.704 178.317 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.485 ' OE2' ' HG3' ' A' ' 31' ' ' LYS . 4.2 tm-20 -55.63 -45.18 77.63 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.627 179.746 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HD2' ' OE1' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -68.07 -47.7 67.59 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.446 179.129 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 25' ' ' THR . 88.9 t -55.35 -41.79 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.565 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 26' ' ' ALA . 99.5 t -63.47 -45.42 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.07 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.485 ' HG3' ' OE2' ' A' ' 27' ' ' GLU . 79.9 mttt -48.64 -47.24 40.51 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-O 121.129 0.49 . . . . 0.0 110.37 178.986 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.449 ' NE2' ' OD2' ' A' ' 36' ' ' ASP . 36.0 tp60 -59.3 -36.36 75.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.862 179.28 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.872 ' CG ' HD23 ' B' ' 12' ' ' LEU . 36.2 t80 -51.75 -69.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.999 179.183 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.417 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 32.2 m-85 -64.19 -37.62 88.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.957 179.76 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.708 ' ND2' HG22 ' B' ' 39' ' ' VAL . 25.0 t-20 -51.41 -38.88 55.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.497 0.665 . . . . 0.0 110.092 178.828 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.449 ' OD2' ' NE2' ' A' ' 32' ' ' GLN . 28.0 m-20 -94.64 -23.58 17.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.397 -179.85 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 38' ' ' GLY . 24.0 m120 -79.43 -45.29 19.75 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.243 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.36 -117.21 0.0 OUTLIER Glycine 0 CA--C 1.519 0.327 0 CA-C-N 114.48 -1.236 . . . . 0.0 116.071 179.645 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.714 HG22 ' ND2' ' B' ' 35' ' ' ASN . 48.2 t -81.88 -55.55 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -175.88 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -90.98 27.13 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -177.12 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.73 150.84 52.17 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.05 -1.071 . . . . 0.0 112.2 179.331 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -81.22 94.49 6.7 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.343 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.549 ' CH2' HG12 ' B' ' 30' ' ' VAL . 8.4 m0 -101.22 122.36 43.5 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -178.367 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -106.9 138.95 42.1 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.641 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 12.4 t80 -111.73 140.93 45.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.011 0.434 . . . . 0.0 111.927 -178.665 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.7 t0 -123.5 81.93 1.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.196 178.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.98 -36.15 16.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.51 -179.526 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.464 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -51.26 -32.0 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.667 -179.632 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.1 p -122.04 11.95 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.575 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp 48.66 36.43 7.72 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.634 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.86 HG23 ' O ' ' B' ' 4' ' ' LYS . 99.1 m -129.48 140.67 51.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.016 0.436 . . . . 0.0 111.353 -179.017 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.552 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 2.1 m-85 -108.75 146.52 33.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.422 178.937 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.554 HG22 ' HB ' ' B' ' 6' ' ' ILE . 2.9 p -122.71 127.56 49.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.34 0.59 . . . . 0.0 112.227 179.781 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.5 t -107.38 115.73 49.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.232 -0.895 . . . . 0.0 108.975 178.356 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.764 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 4.9 m -111.79 123.17 49.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.09 0.471 . . . . 0.0 112.119 -178.457 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.046 179.731 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.468 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 28.0 ttt . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.935 0.398 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.468 ' N ' ' HG2' ' B' ' 1' ' ' MET . 1.2 tm0? -95.79 128.9 43.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.089 179.342 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' B' ' 1' ' ' MET . 72.9 m-85 -125.39 142.08 51.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.804 0.335 . . . . 0.0 110.735 -179.728 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.86 ' O ' HG23 ' A' ' 51' ' ' THR . 4.8 ttmp? -105.59 112.78 25.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.055 -179.874 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.69 HG21 HG21 ' B' ' 30' ' ' VAL . 69.1 t -95.28 133.22 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.513 179.613 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.554 ' HB ' HG22 ' A' ' 53' ' ' THR . 69.1 mt -107.99 124.53 64.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.146 -179.281 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 15.9 mt -105.61 84.76 2.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.05 0.452 . . . . 0.0 110.3 -179.836 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.764 ' O ' ' HA ' ' A' ' 55' ' ' THR . 73.1 m-20 -93.85 108.92 20.64 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.319 -179.036 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.56 -167.42 14.68 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.126 178.927 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.631 ' HE2' ' HA ' ' B' ' 10' ' ' LYS . 7.1 mmpt? -82.43 -55.01 4.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.086 0.469 . . . . 0.0 110.097 179.503 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.464 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 14.6 p -102.58 -1.02 31.14 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.305 -179.81 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.949 HD13 ' HB ' ' A' ' 18' ' ' THR . 24.6 tp -136.98 136.65 38.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.057 0.456 . . . . 0.0 111.531 -179.561 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.472 ' H ' HD12 ' B' ' 12' ' ' LEU . 96.0 mttt -145.27 145.24 31.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.079 179.563 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.31 -176.71 43.81 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 119.979 -1.105 . . . . 0.0 113.558 -179.733 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -136.63 135.09 38.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.91 0.386 . . . . 0.0 110.212 179.53 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.79 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -135.39 166.99 21.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.033 -179.727 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.486 ' O ' HD12 ' A' ' 12' ' ' LEU . 70.2 p -143.64 122.76 12.9 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -178.768 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.931 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.1 t -111.51 145.99 38.07 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.449 178.604 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -107.89 117.0 32.97 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 179.724 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.634 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -146.71 152.52 38.96 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.146 0.498 . . . . 0.0 111.912 -179.495 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 27.1 t -50.56 -25.37 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.923 -178.784 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.643 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -157.13 174.87 14.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.891 0.377 . . . . 0.0 111.326 179.388 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.552 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -60.18 -41.82 93.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.487 -179.51 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.74 -54.2 39.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.497 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.847 ' O ' HG23 ' B' ' 29' ' ' VAL . 59.3 p -50.09 -45.58 52.71 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.413 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.857 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.35 -50.09 75.01 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.754 178.291 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.484 ' OE2' ' HG3' ' B' ' 31' ' ' LYS . 4.2 tm-20 -55.65 -45.09 77.71 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.747 179.704 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.452 ' HD2' ' OE1' ' B' ' 27' ' ' GLU . 0.3 OUTLIER -68.03 -47.82 67.37 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.363 179.044 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.847 HG23 ' O ' ' B' ' 25' ' ' THR . 88.9 t -55.4 -41.82 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.676 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.857 HG23 ' O ' ' B' ' 26' ' ' ALA . 100.0 t -63.4 -45.4 98.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.064 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.484 ' HG3' ' OE2' ' B' ' 27' ' ' GLU . 79.9 mttt -48.57 -47.22 39.7 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 121.106 0.479 . . . . 0.0 110.362 178.955 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.454 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 35.9 tp60 -59.31 -36.38 75.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.835 179.328 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.871 ' CG ' HD23 ' A' ' 12' ' ' LEU . 36.3 t80 -51.81 -69.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.972 179.275 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.417 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 32.2 m-85 -64.2 -37.66 88.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.997 179.71 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.714 ' ND2' HG22 ' A' ' 39' ' ' VAL . 25.1 t-20 -51.29 -38.95 55.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.471 0.653 . . . . 0.0 110.124 178.764 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.454 ' OD2' ' NE2' ' B' ' 32' ' ' GLN . 28.0 m-20 -94.67 -23.5 17.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.352 -179.776 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' B' ' 38' ' ' GLY . 24.1 m120 -79.54 -45.12 19.87 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.229 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.53 -117.25 0.0 OUTLIER Glycine 0 CA--C 1.52 0.386 0 CA-C-N 114.419 -1.264 . . . . 0.0 116.014 179.719 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.708 HG22 ' ND2' ' A' ' 35' ' ' ASN . 48.4 t -81.86 -55.61 7.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 -175.736 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -90.91 27.19 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.208 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.78 150.92 52.23 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.068 -1.063 . . . . 0.0 112.16 179.386 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.492 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 0.4 OUTLIER -81.46 94.53 6.85 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.458 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.553 ' CH2' HG12 ' A' ' 30' ' ' VAL . 8.4 m0 -101.16 122.38 43.52 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.407 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 67.3 p -106.95 138.98 42.1 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.711 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.495 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 12.2 t80 -111.79 141.08 45.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.994 0.426 . . . . 0.0 111.944 -178.654 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.454 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.8 t0 -123.55 81.86 1.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.187 179.095 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.02 -36.15 17.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.428 -179.486 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.454 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -51.28 -31.96 23.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.655 -179.568 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 81.1 p -122.11 12.04 10.29 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.616 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp 48.54 36.39 7.41 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.927 0.394 . . . . 0.0 110.789 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.853 HG23 ' O ' ' A' ' 4' ' ' LYS . 99.0 m -129.43 140.67 51.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.45 -179.045 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.551 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 2.2 m-85 -108.76 146.49 33.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.347 179.058 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.559 HG22 ' HB ' ' A' ' 6' ' ' ILE . 2.9 p -122.67 127.56 49.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.355 0.598 . . . . 0.0 112.231 179.741 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.5 t -107.31 115.62 49.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.0 178.376 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.769 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 5.0 m -111.76 123.32 49.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.132 0.491 . . . . 0.0 112.088 -178.478 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.946 179.823 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.439 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 11.9 ttm . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.718 0.294 . . . . 0.0 110.61 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -97.11 135.67 38.75 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.409 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.439 ' CE1' ' HB3' ' A' ' 1' ' ' MET . 73.7 m-85 -127.26 145.57 50.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.814 0.34 . . . . 0.0 111.188 -179.426 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.541 ' O ' HG23 ' B' ' 51' ' ' THR . 24.5 ttmm -109.41 107.95 18.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.26 179.639 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.602 ' HB ' HG23 ' A' ' 16' ' ' THR . 62.1 t -94.24 133.87 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.028 0.442 . . . . 0.0 110.897 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.764 HG22 ' OD1' ' A' ' 8' ' ' ASN . 61.3 mt -106.16 129.16 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.055 179.743 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.416 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.0 mt -105.9 93.42 4.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.874 -178.632 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.764 ' OD1' HG22 ' A' ' 6' ' ' ILE . 6.4 m120 -98.71 105.54 17.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.49 -179.627 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.05 -170.01 19.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.464 179.841 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG2' ' CD ' ' B' ' 56' ' ' GLU . 72.7 mmtt -68.89 -53.03 23.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.878 0.37 . . . . 0.0 111.457 -179.735 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.495 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 17.9 p -121.3 17.57 11.47 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -178.933 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.996 HD13 ' HB ' ' B' ' 18' ' ' THR . 27.0 tp -141.04 140.27 34.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.006 0.432 . . . . 0.0 110.879 -179.163 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.509 ' H ' HD12 ' A' ' 12' ' ' LEU . 6.9 mptt -145.11 147.71 32.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.315 179.708 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.33 -174.3 41.82 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 119.928 -1.129 . . . . 0.0 113.366 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -141.88 133.68 27.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.023 0.44 . . . . 0.0 110.32 179.636 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.752 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -133.92 168.05 19.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.134 -179.604 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 4' ' ' LYS . 46.1 p -143.44 119.56 10.75 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.792 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.995 ' HB ' HD13 ' B' ' 12' ' ' LEU . 15.0 t -109.04 144.47 37.01 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.693 178.754 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -104.95 116.36 31.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.549 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -148.13 151.67 36.0 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.291 0.567 . . . . 0.0 111.979 -179.579 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.5 t -50.84 -26.1 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.991 -178.795 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.585 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -157.42 175.08 14.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.0 111.347 179.448 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.94 -42.55 94.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.424 -179.589 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.79 -54.47 38.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.006 179.49 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.908 ' O ' HG23 ' A' ' 29' ' ' VAL . 48.9 p -51.42 -45.96 62.77 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.411 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.9 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.54 -52.43 65.58 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.482 ' HG3' ' HE3' ' A' ' 31' ' ' LYS . 37.3 tp10 -51.55 -47.67 63.35 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.503 178.901 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -64.16 -46.1 85.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.469 179.46 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 25' ' ' THR . 74.1 t -58.4 -41.13 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.21 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 26' ' ' ALA . 21.3 t -61.43 -44.58 98.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.625 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.493 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 22.7 mmtp -46.66 -50.24 18.01 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.247 0.546 . . . . 0.0 109.917 179.212 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.461 ' NE2' ' OE1' ' A' ' 56' ' ' GLU . 5.6 tm0? -58.91 -35.72 73.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.683 179.047 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.982 ' CG ' HD23 ' B' ' 12' ' ' LEU . 54.3 t80 -55.07 -62.46 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.376 179.546 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.411 ' HB3' ' HA2' ' B' ' 38' ' ' GLY . 27.5 m-85 -70.04 -39.01 76.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.682 179.31 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.465 ' ND2' HG21 ' B' ' 39' ' ' VAL . 31.0 t-20 -50.43 -38.7 44.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.605 0.717 . . . . 0.0 109.927 178.597 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.39 -22.89 18.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.86 -1.064 . . . . 0.0 112.507 -179.744 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.476 ' O ' ' C ' ' A' ' 38' ' ' GLY . 21.3 m120 -81.92 -46.83 13.52 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.145 179.424 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.51 -115.1 0.0 OUTLIER Glycine 0 C--N 1.333 0.395 0 N-CA-C 115.494 0.958 . . . . 0.0 115.494 179.723 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 39' ' ' VAL . 22.0 t -110.37 5.24 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -176.361 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.99 12.5 8.38 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.697 -0.627 . . . . 0.0 112.04 -179.891 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.75 174.86 53.17 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.122 -179.593 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 46.6 mp0 -100.0 102.74 14.19 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.491 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.536 ' HH2' HG12 ' B' ' 30' ' ' VAL . 7.8 m0 -96.63 118.39 33.01 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.415 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.4 p -102.61 133.38 47.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.074 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.525 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 9.2 t80 -104.96 139.74 39.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.361 . . . . 0.0 111.706 -178.552 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -123.22 81.31 1.87 Allowed 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.649 179.525 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.64 -36.79 25.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.465 -179.605 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.13 -31.73 14.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.168 -179.268 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.9 p -128.23 12.7 6.6 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.627 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.481 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER 54.38 31.92 15.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.9 0.381 . . . . 0.0 110.335 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.545 HG23 ' O ' ' B' ' 4' ' ' LYS . 51.7 m -111.45 154.04 25.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.223 -178.758 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.596 ' O ' HG13 ' B' ' 5' ' ' VAL . 3.4 m-85 -129.2 95.03 3.94 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 121.225 0.535 . . . . 0.0 112.106 179.636 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.4 p -72.74 127.9 33.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.873 178.948 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.0 t -117.7 119.2 60.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.834 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.639 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 28.6 m -102.67 113.8 27.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.063 179.565 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.461 ' OE1' ' NE2' ' A' ' 32' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.221 -178.658 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.439 ' HB3' ' CE1' ' B' ' 3' ' ' TYR . 12.0 ttm . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.777 0.322 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -97.0 135.64 38.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.431 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.439 ' CE1' ' HB3' ' B' ' 1' ' ' MET . 74.1 m-85 -127.25 145.44 50.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.799 0.333 . . . . 0.0 111.214 -179.381 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.545 ' O ' HG23 ' A' ' 51' ' ' THR . 24.5 ttmm -109.39 107.95 18.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.302 179.58 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.598 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.6 t -94.22 133.87 33.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.092 0.472 . . . . 0.0 110.79 -179.64 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.762 HG22 ' OD1' ' B' ' 8' ' ' ASN . 61.3 mt -106.23 129.24 59.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.089 179.628 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.1 mt -106.0 93.5 4.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.884 -178.589 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.762 ' OD1' HG22 ' B' ' 6' ' ' ILE . 6.4 m120 -98.72 105.49 17.64 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.423 -179.53 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.99 -170.0 19.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.424 179.786 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.408 ' HG2' ' CD ' ' A' ' 56' ' ' GLU . 72.7 mmtt -68.93 -52.98 23.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.822 0.344 . . . . 0.0 111.415 -179.653 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.493 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 18.0 p -121.34 17.61 11.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.077 -178.9 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.995 HD13 ' HB ' ' A' ' 18' ' ' THR . 27.0 tp -141.13 140.23 34.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.953 0.406 . . . . 0.0 110.869 -179.171 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.507 ' H ' HD12 ' B' ' 12' ' ' LEU . 6.9 mptt -145.11 147.57 32.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.283 179.788 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.494 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.24 -174.29 41.73 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.044 -1.074 . . . . 0.0 113.447 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -141.7 133.74 27.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.912 0.387 . . . . 0.0 110.371 179.672 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.738 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -134.05 168.03 19.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.095 -179.564 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.537 HG22 ' HA ' ' B' ' 4' ' ' LYS . 46.2 p -143.53 119.59 10.72 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.849 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.996 ' HB ' HD13 ' A' ' 12' ' ' LEU . 15.0 t -108.84 144.52 36.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.761 178.595 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -104.91 116.27 31.69 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 179.829 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.549 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -148.11 151.62 35.92 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.279 0.562 . . . . 0.0 111.976 -179.537 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 t -50.77 -26.18 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.07 -178.835 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.584 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -157.35 175.05 14.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 111.321 179.485 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.53 94.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.421 -179.587 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.7 -54.64 36.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.981 179.467 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.904 ' O ' HG23 ' B' ' 29' ' ' VAL . 51.5 p -51.25 -46.06 62.23 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.378 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.89 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.49 -52.49 65.37 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.033 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.482 ' HG3' ' HE3' ' B' ' 31' ' ' LYS . 37.1 tp10 -51.49 -47.77 63.12 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.422 178.871 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.4 ' HA ' ' HG2' ' B' ' 31' ' ' LYS . 45.3 mmtm -64.12 -46.12 85.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.522 179.555 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.904 HG23 ' O ' ' B' ' 25' ' ' THR . 72.6 t -58.3 -41.24 80.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.251 179.432 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.89 HG23 ' O ' ' B' ' 26' ' ' ALA . 21.4 t -61.45 -44.47 98.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.657 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.493 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 22.8 mmtp -46.71 -50.19 18.31 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 121.262 0.553 . . . . 0.0 109.945 179.177 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.462 ' NE2' ' OE1' ' B' ' 56' ' ' GLU . 5.6 tm0? -58.96 -35.63 73.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.708 178.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.984 ' CG ' HD23 ' A' ' 12' ' ' LEU . 54.5 t80 -55.05 -62.53 1.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.346 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.413 ' HB3' ' HA2' ' A' ' 38' ' ' GLY . 27.5 m-85 -70.11 -38.91 75.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.693 179.382 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.471 ' ND2' HG21 ' A' ' 39' ' ' VAL . 31.2 t-20 -50.37 -38.82 44.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.481 0.658 . . . . 0.0 109.947 178.509 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.31 -22.74 18.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.544 -179.76 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.476 ' O ' ' C ' ' B' ' 38' ' ' GLY . 21.1 m120 -82.04 -46.87 13.33 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.045 179.451 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.5 -115.03 0.0 OUTLIER Glycine 0 C--N 1.334 0.417 0 N-CA-C 115.476 0.95 . . . . 0.0 115.476 179.798 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.645 HG12 ' O ' ' B' ' 39' ' ' VAL . 22.2 t -110.49 5.18 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -176.154 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.04 12.51 8.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 118.495 0.589 . . . . 0.0 112.032 -179.803 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.82 174.96 53.15 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.073 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.453 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 46.2 mp0 -100.17 102.68 14.05 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.484 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.541 ' HH2' HG12 ' A' ' 30' ' ' VAL . 7.7 m0 -96.39 118.34 32.71 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.409 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 45.4 p -102.57 133.41 47.6 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.033 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.521 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 9.3 t80 -104.96 139.6 39.42 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.628 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.14 81.36 1.87 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.935 0.398 . . . . 0.0 110.656 179.543 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.74 -36.6 26.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.544 -179.618 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.16 -31.79 14.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.131 -179.305 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -128.25 12.67 6.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.472 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.479 ' HA ' ' HE3' ' B' ' 50' ' ' LYS . 0.0 OUTLIER 54.41 31.79 15.28 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.831 0.348 . . . . 0.0 110.333 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 4' ' ' LYS . 51.5 m -111.39 154.1 25.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.215 -178.696 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.591 ' O ' HG13 ' A' ' 5' ' ' VAL . 3.4 m-85 -129.26 94.98 3.92 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.252 0.548 . . . . 0.0 112.116 179.636 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.4 p -72.77 127.91 33.94 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.802 178.959 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -117.64 119.12 60.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.636 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 28.5 m -102.62 113.8 27.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.161 179.493 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.462 ' OE1' ' NE2' ' B' ' 32' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.208 -178.644 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.744 0.306 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.465 ' NE2' ' HB ' ' A' ' 17' ' ' THR . 32.8 tp60 -104.06 129.34 51.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.991 -179.737 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -123.9 148.41 46.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.577 179.584 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.563 ' O ' HG23 ' B' ' 51' ' ' THR . 62.8 tttm -106.28 104.72 14.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.905 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.708 HG21 HG21 ' A' ' 30' ' ' VAL . 93.2 t -94.69 129.35 45.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.642 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.764 HG22 ' OD1' ' A' ' 8' ' ' ASN . 67.7 mt -110.33 131.66 60.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.575 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.518 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 17.1 mt -108.03 92.76 4.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.317 -179.49 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.764 ' OD1' HG22 ' A' ' 6' ' ' ILE . 5.9 m120 -96.44 107.12 19.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.055 -178.789 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.47 -175.08 20.03 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.294 179.232 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -78.65 -54.33 6.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.263 0.554 . . . . 0.0 109.723 179.204 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.473 ' HB ' HG11 ' B' ' 29' ' ' VAL . 3.0 p -103.01 1.03 32.98 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.223 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.955 HD13 ' HB ' ' B' ' 18' ' ' THR . 28.4 tp -136.74 139.73 42.09 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.058 0.456 . . . . 0.0 111.41 -179.54 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.506 ' H ' HD12 ' A' ' 12' ' ' LEU . 49.5 mtmt -145.19 141.9 29.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.411 179.892 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.471 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.54 -173.65 41.45 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.119 -1.039 . . . . 0.0 113.564 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 52.0 mp0 -139.69 150.83 45.34 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.527 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.791 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -151.25 166.8 29.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.182 -179.342 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 4' ' ' LYS . 68.0 p -143.51 121.36 11.98 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -179.019 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.971 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.6 t -109.59 145.34 36.56 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.719 178.704 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -106.38 118.15 35.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.73 0.3 . . . . 0.0 110.675 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.523 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -149.4 151.8 34.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.116 0.484 . . . . 0.0 111.992 -179.633 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.2 t -50.98 -26.4 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.785 -179.074 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.464 ' OD1' HG23 ' A' ' 25' ' ' THR . 5.8 p-10 -155.11 174.02 15.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.864 0.364 . . . . 0.0 111.475 179.468 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.483 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -59.43 -42.63 92.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.05 -179.704 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.29 -55.81 24.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.547 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.877 ' O ' HG23 ' A' ' 29' ' ' VAL . 29.6 p -51.23 -44.37 61.66 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.26 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.751 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.79 -52.7 63.96 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.179 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -52.65 -47.26 67.22 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.58 179.116 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.58 -44.43 96.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.044 179.495 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 25' ' ' THR . 91.5 t -60.48 -39.05 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.172 179.194 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 26' ' ' ALA . 47.0 t -67.15 -49.54 71.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 178.414 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -47.4 -46.21 25.91 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 121.254 0.549 . . . . 0.0 109.828 178.494 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -61.14 -35.41 77.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.436 179.63 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.861 ' CG ' HD23 ' B' ' 12' ' ' LEU . 46.7 t80 -55.35 -61.73 2.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.197 179.059 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -68.94 -40.89 78.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.659 179.47 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.529 ' ND2' HG22 ' B' ' 39' ' ' VAL . 27.6 t-20 -50.19 -37.29 34.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.623 0.725 . . . . 0.0 109.667 178.467 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -94.5 -23.82 17.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.641 -1.163 . . . . 0.0 112.452 -179.779 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 38' ' ' GLY . 21.8 m120 -81.44 -46.6 14.34 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.043 0.449 . . . . 0.0 110.006 179.379 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.2 -114.44 0.0 OUTLIER Glycine 0 CA--C 1.52 0.373 0 N-CA-C 115.962 1.145 . . . . 0.0 115.962 -179.905 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.527 HG22 ' ND2' ' B' ' 35' ' ' ASN . 90.4 t -82.88 -55.27 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -175.891 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -90.7 26.87 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -176.941 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.46 162.87 54.28 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 119.916 -1.135 . . . . 0.0 111.879 179.124 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -91.56 96.63 10.58 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 117.012 0.406 . . . . 0.0 110.348 179.791 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.586 ' CH2' HG12 ' B' ' 30' ' ' VAL . 7.6 m95 -97.12 118.12 32.82 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.381 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.3 p -107.18 136.96 46.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.025 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.466 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 7.6 t80 -109.28 141.78 41.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 0.0 111.428 -179.217 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.48 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 65.2 t0 -123.23 83.44 2.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 53.7 m-20 -46.78 -37.04 8.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.424 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.48 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.97 -35.56 24.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.03 -179.262 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.4 p -128.05 12.63 6.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.673 -179.777 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' NZ ' ' CB ' ' A' ' 50' ' ' LYS . 3.0 mtmp? 47.93 39.18 10.47 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.183 0.516 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.597 HG21 ' CD1' ' B' ' 6' ' ' ILE . 97.7 m -113.35 148.01 36.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.999 -179.254 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.485 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 17.9 m-85 -117.0 96.22 5.35 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.51 0.671 . . . . 0.0 111.906 -179.828 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -77.36 121.42 23.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.214 179.27 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.4 t -109.5 109.2 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.374 179.53 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.662 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 34.0 m -101.06 118.69 37.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.597 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.265 -179.068 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.866 0.365 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.463 ' NE2' ' HB ' ' B' ' 17' ' ' THR . 32.8 tp60 -104.09 129.21 51.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.044 -179.67 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -123.8 148.39 46.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.644 179.637 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.561 ' O ' HG23 ' A' ' 51' ' ' THR . 62.9 tttm -106.28 104.7 14.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.895 -179.77 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.708 HG21 HG21 ' B' ' 30' ' ' VAL . 92.3 t -94.74 129.35 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.986 0.422 . . . . 0.0 110.603 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.761 HG22 ' OD1' ' B' ' 8' ' ' ASN . 67.1 mt -110.28 131.6 60.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.587 179.887 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 17.1 mt -108.0 92.68 4.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.319 -179.516 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.761 ' OD1' HG22 ' B' ' 6' ' ' ILE . 6.0 m120 -96.37 107.14 19.47 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -178.847 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.45 -175.07 20.04 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.174 179.316 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -78.69 -54.32 6.22 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.277 0.561 . . . . 0.0 109.73 179.15 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.475 ' HB ' HG11 ' A' ' 29' ' ' VAL . 2.9 p -103.12 1.06 32.75 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.13 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.971 HD13 ' HB ' ' A' ' 18' ' ' THR . 28.3 tp -136.71 139.66 42.09 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.062 0.458 . . . . 0.0 111.424 -179.534 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.501 ' H ' HD12 ' B' ' 12' ' ' LEU . 49.6 mtmt -145.14 142.09 29.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.381 179.837 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.472 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.69 -173.72 41.64 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.075 -1.059 . . . . 0.0 113.567 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 51.7 mp0 -139.62 150.9 45.53 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.53 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.788 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -151.32 166.74 30.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.168 -179.247 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.524 HG22 ' HA ' ' B' ' 4' ' ' LYS . 68.5 p -143.52 121.39 11.99 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.947 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.955 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.7 t -109.62 145.22 36.8 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.68 178.767 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -106.23 118.11 35.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.653 0.263 . . . . 0.0 110.766 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.52 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -149.47 151.87 34.68 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 121.146 0.498 . . . . 0.0 111.871 -179.642 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.0 t -50.9 -26.49 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.84 -179.109 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.463 ' OD1' HG23 ' B' ' 25' ' ' THR . 5.8 p-10 -155.02 174.1 15.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.88 0.372 . . . . 0.0 111.512 179.455 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.485 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -59.58 -42.43 92.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.725 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.3 -55.88 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.953 179.412 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.873 ' O ' HG23 ' B' ' 29' ' ' VAL . 29.9 p -51.21 -44.31 61.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.268 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.752 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.85 -52.47 64.9 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.29 178.111 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -52.91 -47.11 68.21 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.564 179.049 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.64 -44.38 96.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.045 179.427 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.873 HG23 ' O ' ' B' ' 25' ' ' THR . 92.7 t -60.62 -38.97 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.173 179.255 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.752 HG23 ' O ' ' B' ' 26' ' ' ALA . 47.2 t -67.23 -49.45 72.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.389 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -47.4 -46.21 25.96 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.362 0.601 . . . . 0.0 109.873 178.496 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' B' ' 32' ' ' GLN . 3.1 tp-100 -61.11 -35.35 76.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.456 179.625 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.862 ' CG ' HD23 ' A' ' 12' ' ' LEU . 47.2 t80 -55.52 -61.72 2.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.134 179.124 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -69.02 -40.77 78.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.604 179.492 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.527 ' ND2' HG22 ' A' ' 39' ' ' VAL . 27.7 t-20 -50.24 -37.27 34.78 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.682 0.753 . . . . 0.0 109.659 178.459 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -94.5 -23.85 17.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.7 -1.136 . . . . 0.0 112.498 -179.793 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' B' ' 38' ' ' GLY . 21.7 m120 -81.43 -46.4 14.64 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.034 0.445 . . . . 0.0 110.101 179.32 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.45 -114.43 0.0 OUTLIER Glycine 0 CA--C 1.52 0.362 0 N-CA-C 115.978 1.151 . . . . 0.0 115.978 -179.899 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.529 HG22 ' ND2' ' A' ' 35' ' ' ASN . 91.1 t -82.86 -55.19 7.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -175.938 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -90.58 26.85 1.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 -177.14 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.45 162.75 54.27 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 119.953 -1.118 . . . . 0.0 111.902 179.135 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -91.42 96.58 10.59 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 117.028 0.414 . . . . 0.0 110.378 179.756 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.58 ' CH2' HG12 ' A' ' 30' ' ' VAL . 7.5 m95 -96.97 117.99 32.37 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.47 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.2 p -107.18 137.06 45.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.091 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.465 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 7.7 t80 -109.4 141.67 41.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.846 0.355 . . . . 0.0 111.37 -179.143 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.483 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 65.4 t0 -123.16 83.5 2.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.004 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 53.9 m-20 -46.82 -36.96 7.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.373 -179.901 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.483 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.13 -35.5 26.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.005 -179.264 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 74.2 p -127.96 12.56 6.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.668 -179.793 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.403 ' CB ' ' NZ ' ' B' ' 50' ' ' LYS . 2.9 mtmp? 47.91 39.15 10.36 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.192 0.52 . . . . 0.0 110.903 -179.894 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.587 HG21 ' CD1' ' A' ' 6' ' ' ILE . 97.6 m -113.25 147.95 36.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.08 -179.245 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.483 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 18.1 m-85 -116.9 96.22 5.37 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.369 0.604 . . . . 0.0 111.911 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -77.35 121.47 23.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.203 179.27 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 64.6 t -109.56 109.23 27.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.32 179.539 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.667 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 34.2 m -100.98 118.62 37.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.934 -179.644 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.358 -179.14 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HG3' ' CE1' ' A' ' 3' ' ' TYR . 11.2 tpt . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.668 0.27 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -111.41 146.84 36.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.005 0.431 . . . . 0.0 111.171 -179.595 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.466 ' CD2' ' HE2' ' B' ' 50' ' ' LYS . 10.1 m-85 -132.5 151.64 51.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.289 179.542 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.783 ' O ' HG23 ' B' ' 51' ' ' THR . 87.8 tttt -109.59 109.84 20.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 111.411 -179.559 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.766 HG21 HG21 ' A' ' 30' ' ' VAL . 72.6 t -94.86 136.0 27.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.103 179.399 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.781 HG22 ' OD1' ' A' ' 8' ' ' ASN . 78.1 mt -114.84 135.35 54.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.049 -179.197 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.496 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 13.9 mt -113.2 104.99 12.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.698 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.781 ' OD1' HG22 ' A' ' 6' ' ' ILE . 6.2 m120 -109.11 107.83 18.28 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.496 -179.574 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.52 -166.19 15.42 Favored Glycine 0 CA--C 1.51 -0.237 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.279 179.343 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -75.71 -55.37 5.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.915 0.388 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.463 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 15.3 p -110.17 8.8 23.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.648 -179.083 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.968 HD13 ' HB ' ' B' ' 18' ' ' THR . 26.7 tp -140.12 138.32 35.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.029 0.442 . . . . 0.0 111.654 -179.402 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.478 ' H ' HD12 ' A' ' 12' ' ' LEU . 52.0 mtmt -145.77 148.1 32.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.105 179.051 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -176.2 -173.29 41.72 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 119.84 -1.172 . . . . 0.0 113.835 -179.938 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.438 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 51.3 mp0 -140.09 137.62 34.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.824 0.345 . . . . 0.0 110.293 179.827 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.745 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -138.88 168.88 18.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.429 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.531 HG22 ' HA ' ' A' ' 4' ' ' LYS . 48.8 p -143.4 120.11 11.16 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -178.76 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.982 ' HB ' HD13 ' B' ' 12' ' ' LEU . 15.1 t -108.14 142.72 37.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.591 178.549 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -104.87 115.85 31.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.534 0.207 . . . . 0.0 110.64 179.803 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.53 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.04 154.91 39.98 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 121.255 0.55 . . . . 0.0 112.057 -179.632 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.0 t -50.53 -24.33 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.166 -178.581 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.45 ' OD2' ' HB3' ' A' ' 24' ' ' ALA . 6.0 p-10 -158.16 170.62 21.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.83 0.347 . . . . 0.0 111.506 179.563 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -59.27 -40.95 87.69 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.517 179.844 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.45 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -64.69 -55.54 19.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.863 179.26 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.868 ' O ' HG23 ' A' ' 29' ' ' VAL . 10.9 p -53.57 -42.1 67.2 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.294 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.921 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -62.13 -49.15 77.04 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.488 178.097 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.473 ' HG2' ' HE3' ' A' ' 31' ' ' LYS . 39.1 tt0 -57.57 -44.86 85.64 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 179.342 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -64.45 -43.57 93.84 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.344 179.493 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 25' ' ' THR . 96.5 t -60.35 -40.53 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.041 179.167 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.921 HG23 ' O ' ' A' ' 26' ' ' ALA . 43.7 t -60.62 -43.35 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 178.514 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.568 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 28.2 mmtp -47.25 -51.63 18.31 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.271 0.558 . . . . 0.0 109.801 179.059 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.454 ' NE2' ' OD2' ' A' ' 36' ' ' ASP . 34.6 tp60 -56.58 -36.8 69.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.033 179.629 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.914 ' CG ' HD23 ' B' ' 12' ' ' LEU . 43.8 t80 -52.68 -66.75 0.33 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.952 179.301 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.45 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 31.2 m-85 -66.87 -38.66 86.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.896 179.412 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.521 ' ND2' HG22 ' B' ' 39' ' ' VAL . 28.1 t-20 -52.78 -37.83 60.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.542 0.687 . . . . 0.0 109.654 178.297 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.454 ' OD2' ' NE2' ' A' ' 32' ' ' GLN . 42.3 m-20 -94.21 -26.43 16.66 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.757 -1.111 . . . . 0.0 112.718 -179.552 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' A' ' 38' ' ' GLY . 24.1 m120 -78.64 -41.8 30.46 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.149 0.499 . . . . 0.0 110.144 179.477 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.81 -115.46 0.0 OUTLIER Glycine 0 CA--C 1.521 0.418 0 CA-C-N 114.556 -1.202 . . . . 0.0 115.758 179.712 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.523 HG22 ' ND2' ' B' ' 35' ' ' ASN . 86.3 t -84.71 -55.42 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -175.855 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -89.66 26.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -176.515 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.51 161.75 52.4 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 119.658 -1.258 . . . . 0.0 111.705 178.886 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -88.06 95.92 10.32 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 117.186 0.493 . . . . 0.0 110.38 179.717 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.639 ' HH2' HG12 ' B' ' 30' ' ' VAL . 6.9 m0 -99.04 118.85 36.74 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.368 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.5 p -110.94 138.57 47.18 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 177.627 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 8.4 t80 -110.23 144.33 39.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.013 0.435 . . . . 0.0 111.61 -178.672 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.645 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.3 t70 -123.31 81.9 1.94 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.533 179.504 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 52.1 m-20 -45.3 -35.02 3.21 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.53 -179.774 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.645 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.01 -33.15 17.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.236 -179.14 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.5 p -126.92 14.51 7.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.414 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HE2' ' CD2' ' B' ' 3' ' ' TYR . 4.3 mmmm 50.93 36.42 14.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.542 179.748 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.779 HG23 ' O ' ' B' ' 4' ' ' LYS . 95.6 m -129.37 143.18 50.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.207 0.527 . . . . 0.0 111.997 -178.81 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.524 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 2.5 m-85 -109.81 149.62 29.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.202 179.453 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 4.3 p -121.93 127.57 50.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.987 0.422 . . . . 0.0 111.145 179.251 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.6 t -105.69 106.57 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.314 179.342 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.699 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 32.7 m -99.69 115.47 29.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.469 -179.307 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.443 ' HG2' ' HB2' ' A' ' 36' ' ' ASP . 3.9 tm-20 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.601 -179.867 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.428 ' HG3' ' CE1' ' B' ' 3' ' ' TYR . 11.2 tpt . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.677 0.275 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -111.48 146.78 36.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.975 0.417 . . . . 0.0 111.255 -179.633 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.464 ' CD2' ' HE2' ' A' ' 50' ' ' LYS . 10.1 m-85 -132.3 151.67 51.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.29 179.629 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.779 ' O ' HG23 ' A' ' 51' ' ' THR . 87.8 tttt -109.7 109.96 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 111.366 -179.701 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.763 HG21 HG21 ' B' ' 30' ' ' VAL . 69.9 t -94.89 136.0 27.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.172 179.292 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.782 HG22 ' OD1' ' B' ' 8' ' ' ASN . 78.2 mt -114.87 135.34 55.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.034 -179.167 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 13.9 mt -113.18 104.96 12.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.627 -179.379 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.782 ' OD1' HG22 ' B' ' 6' ' ' ILE . 6.1 m120 -109.03 107.82 18.3 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.555 -179.67 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.51 -166.14 15.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.296 179.389 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -75.6 -55.58 5.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.939 0.4 . . . . 0.0 110.749 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.465 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 15.6 p -110.07 8.88 24.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.711 -179.035 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.982 HD13 ' HB ' ' A' ' 18' ' ' THR . 26.9 tp -140.2 138.34 35.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.115 0.483 . . . . 0.0 111.639 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.477 ' H ' HD12 ' B' ' 12' ' ' LEU . 51.9 mtmt -145.73 148.14 32.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.068 179.077 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -176.22 -173.31 41.77 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 119.81 -1.186 . . . . 0.0 113.775 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 51.4 mp0 -140.12 137.66 34.66 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.842 0.353 . . . . 0.0 110.317 179.755 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.74 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -138.8 169.03 18.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.45 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.535 HG22 ' HA ' ' B' ' 4' ' ' LYS . 49.5 p -143.45 120.12 11.14 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.705 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.968 ' HB ' HD13 ' A' ' 12' ' ' LEU . 15.1 t -108.28 142.82 38.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.477 178.528 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -104.94 115.96 31.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.485 0.183 . . . . 0.0 110.566 179.853 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -149.14 154.9 39.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.245 0.545 . . . . 0.0 112.041 -179.563 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 24.0 t -50.61 -24.37 2.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.162 -0.926 . . . . 0.0 112.153 -178.605 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' B' ' 24' ' ' ALA . 6.0 p-10 -158.08 170.74 21.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.912 0.387 . . . . 0.0 111.437 179.609 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.524 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -59.34 -41.04 88.24 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.472 179.81 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.455 ' HB3' ' OD2' ' B' ' 22' ' ' ASP . . . -64.71 -55.5 19.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.907 179.277 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.871 ' O ' HG23 ' B' ' 29' ' ' VAL . 10.9 p -53.55 -42.17 67.22 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.216 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.929 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -61.92 -49.3 76.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.503 178.065 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.475 ' HG2' ' HE3' ' B' ' 31' ' ' LYS . 39.1 tt0 -57.47 -44.99 85.3 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.61 179.43 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.4 ' HA ' ' HG2' ' B' ' 31' ' ' LYS . 33.6 mmtp -64.39 -43.57 94.01 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.36 179.492 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.871 HG23 ' O ' ' B' ' 25' ' ' THR . 96.1 t -60.41 -40.48 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.944 179.144 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.929 HG23 ' O ' ' B' ' 26' ' ' ALA . 43.9 t -60.69 -43.34 94.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 178.57 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.566 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 28.2 mmtp -47.25 -51.6 18.4 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.287 0.565 . . . . 0.0 109.849 179.008 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.453 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 34.7 tp60 -56.59 -36.81 69.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.01 179.652 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.902 ' CG ' HD23 ' A' ' 12' ' ' LEU . 43.7 t80 -52.68 -66.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.004 179.287 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.452 ' HZ ' HD11 ' B' ' 7' ' ' LEU . 31.2 m-85 -66.82 -38.88 87.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.845 179.436 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.523 ' ND2' HG22 ' A' ' 39' ' ' VAL . 28.2 t-20 -52.7 -37.78 59.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.423 0.63 . . . . 0.0 109.649 178.306 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.453 ' OD2' ' NE2' ' B' ' 32' ' ' GLN . 42.6 m-20 -94.25 -26.42 16.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.868 -1.06 . . . . 0.0 112.627 -179.511 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' B' ' 38' ' ' GLY . 24.1 m120 -78.68 -41.9 29.95 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.049 0.452 . . . . 0.0 110.048 179.532 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.85 -115.52 0.0 OUTLIER Glycine 0 CA--C 1.521 0.452 0 CA-C-N 114.605 -1.18 . . . . 0.0 115.688 179.78 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.521 HG22 ' ND2' ' A' ' 35' ' ' ASN . 86.0 t -84.63 -55.4 6.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 115.78 1.77 . . . . 0.0 115.78 -175.832 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -89.56 26.21 1.78 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -176.605 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.65 161.68 52.59 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 119.715 -1.231 . . . . 0.0 111.582 179.049 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -88.05 96.03 10.36 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 117.063 0.431 . . . . 0.0 110.384 179.75 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.638 ' HH2' HG12 ' A' ' 30' ' ' VAL . 6.9 m0 -99.04 118.95 36.97 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -178.398 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 71.5 p -110.93 138.49 47.27 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 177.654 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.503 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 8.4 t80 -110.15 144.33 38.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.873 0.368 . . . . 0.0 111.694 -178.704 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.643 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.3 t0 -123.29 81.81 1.93 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.584 179.502 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.43 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 52.7 m-20 -45.41 -34.95 3.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.461 -179.641 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.643 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.0 -33.18 17.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.263 -179.182 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -126.85 14.43 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.384 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.466 ' HE2' ' CD2' ' A' ' 3' ' ' TYR . 4.3 mmmm 51.03 36.3 14.94 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.852 0.358 . . . . 0.0 110.597 179.754 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 4' ' ' LYS . 95.5 m -129.29 143.11 50.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.103 0.478 . . . . 0.0 112.107 -178.77 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.524 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 2.4 m-85 -109.81 149.79 29.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.159 179.449 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 4.3 p -121.95 127.62 50.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.918 0.39 . . . . 0.0 111.158 179.272 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 81.7 t -105.71 106.44 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.262 179.442 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.69 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 32.5 m -99.63 115.46 29.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.46 -179.317 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.444 ' HG2' ' HB2' ' B' ' 36' ' ' ASP . 3.9 tm-20 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.668 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.3 mmm . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.905 0.383 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -106.44 143.1 35.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.025 179.175 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -121.78 146.13 47.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.973 0.416 . . . . 0.0 111.409 -179.648 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.762 ' O ' HG23 ' B' ' 51' ' ' THR . 2.6 tpmt? -96.43 103.8 15.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.129 179.566 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.671 ' HB ' HG23 ' A' ' 16' ' ' THR . 60.1 t -95.15 113.84 30.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.155 0.503 . . . . 0.0 111.08 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.413 HG13 ' CG2' ' B' ' 51' ' ' THR . 74.7 mt -95.1 119.22 42.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.001 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.481 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.9 mt -99.24 84.96 3.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.778 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.657 ' O ' ' HA ' ' B' ' 55' ' ' THR . 32.6 t-20 -93.95 108.97 20.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.424 -178.001 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.512 ' HA2' ' HG2' ' B' ' 56' ' ' GLU . . . -117.52 -169.39 14.87 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.303 -0.951 . . . . 0.0 112.605 179.606 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -82.69 -58.05 3.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.156 0.503 . . . . 0.0 110.328 179.779 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.419 ' HB ' HG11 ' B' ' 29' ' ' VAL . 3.2 p -100.46 -0.49 37.9 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.662 179.653 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.962 HD13 ' HB ' ' B' ' 18' ' ' THR . 21.1 tp -136.39 136.26 39.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.032 -179.545 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.484 ' H ' HD12 ' A' ' 12' ' ' LEU . 59.2 mttp -145.1 145.23 31.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.27 179.792 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.57 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 177.78 -165.26 34.77 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 119.962 -1.113 . . . . 0.0 113.552 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -149.59 142.17 24.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.986 0.422 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.73 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -139.14 168.86 18.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.726 179.827 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.701 HG22 ' HE3' ' A' ' 4' ' ' LYS . 69.6 p -141.36 123.86 15.86 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.763 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.972 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.3 t -111.46 144.61 40.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.667 178.753 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -106.21 118.26 36.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.581 0.229 . . . . 0.0 110.385 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.1 151.9 35.23 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.303 0.573 . . . . 0.0 112.182 -179.379 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.78 -28.24 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.779 -179.075 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.451 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 5.1 p-10 -153.79 171.65 18.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 0.0 111.503 179.55 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.567 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -58.77 -41.83 87.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 -179.663 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.47 -55.69 22.09 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.354 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.898 ' O ' HG23 ' A' ' 29' ' ' VAL . 25.2 p -51.73 -44.54 63.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.185 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.884 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.61 -51.41 69.52 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 178.127 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -54.26 -45.43 72.4 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.152 178.933 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 46.5 mmtm -64.88 -46.24 82.62 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.716 179.672 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 25' ' ' THR . 87.4 t -57.13 -39.86 69.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.998 179.298 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 26' ' ' ALA . 27.1 t -61.61 -43.82 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.638 178.848 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.543 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 1.0 OUTLIER -49.19 -49.03 44.59 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.153 0.501 . . . . 0.0 110.012 179.497 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.51 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -57.22 -36.43 70.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.721 179.005 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.873 ' CG ' HD23 ' B' ' 12' ' ' LEU . 41.7 t80 -55.0 -64.99 0.66 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.06 179.428 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.475 ' CE1' ' CE1' ' B' ' 34' ' ' PHE . 24.8 m-85 -66.65 -38.88 87.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.578 179.416 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.406 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 31.6 t-20 -51.25 -38.17 51.15 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.508 0.67 . . . . 0.0 109.838 178.529 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.24 -22.39 18.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.122 -179.879 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.459 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.8 m-20 -83.65 -46.82 11.91 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.568 179.667 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -11.41 -112.04 0.0 OUTLIER Glycine 0 CA--C 1.521 0.429 0 N-CA-C 115.605 1.002 . . . . 0.0 115.605 -179.697 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 39' ' ' VAL . 25.0 t -108.44 3.86 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -176.566 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.66 10.88 7.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.536 0.607 . . . . 0.0 111.931 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.48 172.32 53.53 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.568 -0.825 . . . . 0.0 113.345 -179.349 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -103.63 110.0 21.9 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.847 0.356 . . . . 0.0 110.374 179.71 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.545 ' HH2' HG12 ' B' ' 30' ' ' VAL . 5.9 m0 -105.53 123.75 48.42 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.425 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.447 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 56.8 p -108.73 138.75 44.54 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.97 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.437 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 21.2 t80 -110.48 144.32 39.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.071 0.462 . . . . 0.0 112.216 -178.561 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -123.27 81.82 1.93 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.364 179.39 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.95 -36.56 12.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.837 -179.301 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.53 -31.97 11.38 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -178.962 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.5 p -128.2 14.87 6.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.587 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm 48.16 34.85 4.69 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.958 0.408 . . . . 0.0 110.457 -179.469 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.766 HG23 ' O ' ' B' ' 4' ' ' LYS . 92.7 m -117.78 140.25 49.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.579 -179.095 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 2.5 m-85 -108.42 140.97 40.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.173 179.412 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.447 ' HG1' ' HG1' ' A' ' 44' ' ' THR . 3.0 p -117.83 122.84 44.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.103 0.478 . . . . 0.0 111.325 179.324 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.0 t -102.95 107.16 21.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.879 179.308 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.657 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 25.2 m -102.72 117.66 35.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.422 -179.15 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.513 ' HG2' ' HA2' ' B' ' 9' ' ' GLY . 21.9 pt-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 91.1 mmm . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.949 0.404 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -106.5 143.04 35.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.018 179.145 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -121.78 146.25 47.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.924 0.392 . . . . 0.0 111.455 -179.712 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.766 ' O ' HG23 ' A' ' 51' ' ' THR . 2.6 tpmt? -96.36 103.72 15.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.196 179.619 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.675 ' HB ' HG23 ' B' ' 16' ' ' THR . 59.9 t -95.22 113.94 30.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.154 0.502 . . . . 0.0 111.062 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.412 HG13 ' CG2' ' A' ' 51' ' ' THR . 74.4 mt -95.19 119.15 42.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.944 179.92 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.0 mt -99.28 84.88 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.564 179.79 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.657 ' O ' ' HA ' ' A' ' 55' ' ' THR . 32.7 t-20 -94.0 109.03 20.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.369 -177.92 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.513 ' HA2' ' HG2' ' A' ' 56' ' ' GLU . . . -117.57 -169.32 14.83 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.266 -0.969 . . . . 0.0 112.569 179.623 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -82.85 -58.0 3.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.022 0.439 . . . . 0.0 110.256 179.921 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.417 ' HB ' HG11 ' A' ' 29' ' ' VAL . 3.2 p -100.42 -0.57 37.85 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.631 179.583 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.972 HD13 ' HB ' ' A' ' 18' ' ' THR . 21.0 tp -136.33 136.28 39.59 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.657 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.483 ' H ' HD12 ' B' ' 12' ' ' LEU . 59.3 mttp -145.1 145.31 31.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.279 179.81 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.569 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 177.72 -165.25 34.78 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.841 -1.171 . . . . 0.0 113.477 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -149.65 142.2 24.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.995 0.426 . . . . 0.0 110.941 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.727 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -139.05 168.89 18.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.756 179.83 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.694 HG22 ' HE3' ' B' ' 4' ' ' LYS . 69.4 p -141.41 123.95 15.89 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -178.845 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.962 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.3 t -111.58 144.63 40.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.641 178.83 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -106.11 118.25 36.14 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.628 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -149.21 151.9 35.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.383 0.611 . . . . 0.0 112.141 -179.37 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -50.78 -28.33 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.746 -178.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.449 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 5.2 p-10 -153.71 171.6 18.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.881 0.372 . . . . 0.0 111.496 179.582 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.569 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -58.74 -41.89 87.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.157 -179.727 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.44 -55.61 22.86 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.296 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.896 ' O ' HG23 ' B' ' 29' ' ' VAL . 25.5 p -51.75 -44.56 63.36 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.156 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.888 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.61 -51.37 69.71 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 178.096 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -54.33 -45.35 72.63 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.119 179.018 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' HG2' ' B' ' 31' ' ' LYS . 46.5 mmtm -64.86 -46.28 82.51 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.728 179.69 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.896 HG23 ' O ' ' B' ' 25' ' ' THR . 86.0 t -57.16 -39.8 69.3 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.044 179.286 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.888 HG23 ' O ' ' B' ' 26' ' ' ALA . 27.5 t -61.6 -43.93 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.551 178.83 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.543 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -49.17 -48.93 44.62 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.096 0.474 . . . . 0.0 110.011 179.544 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.512 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -57.31 -36.46 71.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.709 178.993 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.874 ' CG ' HD23 ' A' ' 12' ' ' LEU . 41.3 t80 -54.97 -64.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.094 179.459 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.475 ' CE1' ' CE1' ' A' ' 34' ' ' PHE . 24.8 m-85 -66.77 -38.8 87.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.521 179.398 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.404 ' HB3' ' HA ' ' B' ' 32' ' ' GLN . 31.5 t-20 -51.42 -38.13 52.0 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.452 0.644 . . . . 0.0 109.796 178.608 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.06 -22.56 18.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.901 -1.045 . . . . 0.0 112.243 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.459 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.8 m-20 -83.65 -46.72 12.01 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.475 179.777 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -11.41 -112.08 0.0 OUTLIER Glycine 0 CA--C 1.522 0.472 0 N-CA-C 115.526 0.97 . . . . 0.0 115.526 -179.733 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.654 HG12 ' O ' ' B' ' 39' ' ' VAL . 25.3 t -108.55 3.96 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -176.531 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.68 10.95 7.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.763 -0.586 . . . . 0.0 111.889 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.5 172.38 53.55 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.621 -0.799 . . . . 0.0 113.281 -179.354 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -103.71 109.86 21.73 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.796 0.331 . . . . 0.0 110.384 179.7 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.549 ' HH2' HG12 ' A' ' 30' ' ' VAL . 5.9 m0 -105.5 123.82 48.53 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.373 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.467 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 56.5 p -108.79 138.8 44.55 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.999 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.435 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 21.3 t80 -110.5 144.28 39.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.161 0.505 . . . . 0.0 112.146 -178.536 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -123.29 81.85 1.93 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.331 179.324 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.87 -36.69 12.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.818 -179.36 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.44 -31.92 10.8 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.989 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 67.4 p -128.32 14.87 6.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.523 179.915 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm 48.21 34.8 4.72 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.008 0.433 . . . . 0.0 110.451 -179.501 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 4' ' ' LYS . 92.5 m -117.69 140.28 49.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.626 -179.073 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.567 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 2.5 m-85 -108.5 140.94 41.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.14 179.434 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.467 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 3.0 p -117.83 122.89 44.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.172 0.51 . . . . 0.0 111.209 179.373 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.0 t -102.92 107.15 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.903 179.224 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.657 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 25.6 m -102.84 117.8 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.267 -179.081 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.512 ' HG2' ' HA2' ' A' ' 9' ' ' GLY . 21.9 pt-20 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.793 -179.879 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.501 ' HE3' ' CZ ' ' A' ' 3' ' ' TYR . 36.3 ttp . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.811 0.339 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.424 ' NE2' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -108.0 144.53 35.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.671 -179.921 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.501 ' CZ ' ' HE3' ' A' ' 1' ' ' MET . 2.2 m-85 -129.58 148.03 51.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.804 -179.824 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.779 ' O ' HG23 ' B' ' 51' ' ' THR . 7.2 ttpm? -103.77 108.89 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 179.795 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.734 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.5 t -94.77 130.59 43.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.094 0.474 . . . . 0.0 111.2 -179.711 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.443 ' CD1' HG21 ' B' ' 51' ' ' THR . 74.4 mt -105.53 121.53 57.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.643 179.714 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.436 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.3 mt -99.85 91.9 5.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.874 -179.906 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.643 ' O ' ' HA ' ' B' ' 55' ' ' THR . 32.5 t-20 -100.08 108.31 20.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.477 . . . . 0.0 112.263 -178.086 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.482 ' HA2' ' HG3' ' B' ' 56' ' ' GLU . . . -115.72 -169.56 15.71 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.514 179.63 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.462 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.4 mtmp? -75.05 -54.87 6.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.659 0.266 . . . . 0.0 111.179 -179.82 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.576 ' OG1' HG13 ' B' ' 29' ' ' VAL . 7.0 p -111.31 10.57 21.64 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.246 -179.235 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.989 HD13 ' HB ' ' B' ' 18' ' ' THR . 28.9 tp -138.97 138.93 37.73 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.122 0.487 . . . . 0.0 111.419 -179.39 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.473 ' H ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -144.61 144.6 31.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.2 179.705 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -176.55 -172.83 41.61 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.14 -1.028 . . . . 0.0 113.176 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -143.21 137.14 28.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.908 0.385 . . . . 0.0 110.462 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.778 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -134.84 167.34 21.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.101 -179.663 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.484 ' O ' HD12 ' B' ' 12' ' ' LEU . 51.6 p -143.28 119.42 10.76 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.861 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.002 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.2 t -108.03 145.02 34.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.368 178.619 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -107.33 114.14 27.98 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.466 179.594 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.563 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -144.95 152.54 40.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.267 0.556 . . . . 0.0 112.02 -179.332 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.5 t -50.98 -25.79 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.971 -178.967 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.47 ' OD2' ' HB3' ' A' ' 24' ' ' ALA . 9.9 p-10 -158.31 172.96 17.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.973 0.416 . . . . 0.0 111.487 179.719 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.86 86.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.115 -179.777 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.47 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -63.64 -53.86 44.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.216 179.517 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.869 ' O ' HG23 ' A' ' 29' ' ' VAL . 10.8 p -55.35 -43.22 74.81 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.383 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -60.93 -51.98 66.98 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.033 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.63 -47.5 58.36 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.454 179.103 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -62.8 -45.84 90.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.953 179.237 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 25' ' ' THR . 94.4 t -53.22 -43.37 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.076 179.089 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.608 HG12 ' HH2' ' B' ' 43' ' ' TRP . 48.4 t -63.78 -46.43 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.706 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 53.0 mtpt -50.85 -47.36 60.35 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 120.762 0.315 . . . . 0.0 110.41 179.078 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.423 ' NE2' ' OD2' ' A' ' 36' ' ' ASP . 35.8 tp60 -60.93 -38.1 84.62 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.887 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.935 ' CG ' HD23 ' B' ' 12' ' ' LEU . 56.2 t80 -53.59 -62.67 1.5 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.183 179.268 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.402 ' HB3' ' HA2' ' B' ' 38' ' ' GLY . 27.7 m-85 -68.44 -38.8 81.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.599 179.337 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.507 ' ND2' HG21 ' B' ' 39' ' ' VAL . 32.5 t-20 -50.54 -38.75 46.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.457 0.646 . . . . 0.0 109.727 178.604 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.423 ' OD2' ' NE2' ' A' ' 32' ' ' GLN . 57.4 m-20 -94.44 -23.11 17.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.808 -1.087 . . . . 0.0 112.317 -179.822 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.513 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.9 m-20 -82.09 -46.71 13.51 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.332 179.544 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -8.56 -114.24 0.0 OUTLIER Glycine 0 C--N 1.331 0.291 0 N-CA-C 115.567 0.987 . . . . 0.0 115.567 179.905 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.65 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.7 t -111.17 5.07 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -176.543 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -125.25 10.5 8.05 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.741 -0.599 . . . . 0.0 111.928 -179.83 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.45 173.42 54.83 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.876 -179.569 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 47.8 mp0 -95.9 101.67 13.38 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.711 0.291 . . . . 0.0 110.298 179.562 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.614 ' HH2' HG12 ' B' ' 30' ' ' VAL . 9.6 m95 -96.12 115.88 28.12 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -178.367 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.2 p -109.58 138.21 46.27 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.077 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 7.0 t80 -112.98 142.85 45.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.724 0.297 . . . . 0.0 111.38 -178.978 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.507 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 65.2 t0 -123.3 84.11 2.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.709 179.684 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 12.5 m-20 -48.91 -35.71 15.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 0.0 111.35 -179.823 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.507 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.36 -35.46 28.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.084 -179.428 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.0 p -122.31 13.45 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.466 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HE3' ' CE2' ' B' ' 3' ' ' TYR . 9.3 mmmm 49.9 34.22 7.58 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.816 0.341 . . . . 0.0 110.541 179.916 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.781 HG23 ' O ' ' B' ' 4' ' ' LYS . 93.4 m -125.86 144.25 50.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.118 0.485 . . . . 0.0 112.025 -178.574 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.9 m-85 -109.51 139.45 44.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.211 179.31 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -116.46 123.08 46.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.177 0.513 . . . . 0.0 111.289 179.272 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.5 t -107.15 112.58 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.043 179.33 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.647 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 19.1 m -101.88 112.23 24.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.904 -179.456 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' HG3' ' HA2' ' B' ' 9' ' ' GLY . 1.7 pp20? . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.816 -179.577 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.514 ' HE3' ' CZ ' ' B' ' 3' ' ' TYR . 36.5 ttp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.707 0.289 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.422 ' C ' ' NE2' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -107.94 144.62 34.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.679 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.514 ' CZ ' ' HE3' ' B' ' 1' ' ' MET . 2.2 m-85 -129.66 148.01 51.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.849 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.781 ' O ' HG23 ' A' ' 51' ' ' THR . 7.1 ttpm? -103.66 108.77 20.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.645 179.841 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.735 ' HB ' HG23 ' B' ' 16' ' ' THR . 60.9 t -94.83 130.63 43.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.092 0.472 . . . . 0.0 111.266 -179.738 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.449 ' CD1' HG21 ' A' ' 51' ' ' THR . 74.8 mt -105.48 121.47 57.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.654 179.757 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.3 mt -99.85 91.96 5.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.84 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.647 ' O ' ' HA ' ' A' ' 55' ' ' THR . 32.5 t-20 -100.03 108.25 20.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.297 -178.142 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.473 ' HA2' ' HG3' ' A' ' 56' ' ' GLU . . . -115.8 -169.59 15.68 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.302 -0.951 . . . . 0.0 112.434 179.692 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.465 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.4 mtmp? -74.94 -54.97 6.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.79 0.329 . . . . 0.0 111.205 -179.762 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.572 ' OG1' HG13 ' A' ' 29' ' ' VAL . 7.1 p -111.17 10.47 21.86 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.243 -179.226 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 1.002 HD13 ' HB ' ' A' ' 18' ' ' THR . 29.2 tp -139.0 138.81 37.58 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.104 0.478 . . . . 0.0 111.436 -179.26 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.47 ' H ' HD12 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -144.56 144.65 31.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.213 179.694 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -176.56 -172.85 41.64 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.164 -1.017 . . . . 0.0 113.156 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -143.24 137.08 28.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.976 0.417 . . . . 0.0 110.496 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.769 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -134.81 167.48 20.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.067 -179.705 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.487 ' O ' HD12 ' A' ' 12' ' ' LEU . 52.1 p -143.37 119.5 10.76 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -178.892 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.989 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.4 t -107.99 145.01 34.49 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.406 178.55 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -107.47 114.28 28.18 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 179.662 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -145.01 152.51 40.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.294 0.569 . . . . 0.0 112.011 -179.378 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.1 t -50.92 -25.89 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.936 -179.006 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.477 ' OD2' ' HB3' ' B' ' 24' ' ' ALA . 9.8 p-10 -158.32 172.98 17.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.923 0.392 . . . . 0.0 111.415 179.761 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.49 -41.79 86.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.079 -179.721 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.477 ' HB3' ' OD2' ' B' ' 22' ' ' ASP . . . -63.83 -53.8 45.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.074 179.642 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.869 ' O ' HG23 ' B' ' 29' ' ' VAL . 10.9 p -55.36 -43.26 74.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.388 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.561 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -60.9 -52.03 66.75 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.029 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -50.46 -47.67 56.83 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.407 179.054 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -62.82 -45.78 91.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.047 179.274 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.869 HG23 ' O ' ' B' ' 25' ' ' THR . 94.1 t -53.2 -43.42 49.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.075 179.01 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.614 HG12 ' HH2' ' A' ' 43' ' ' TRP . 48.1 t -63.77 -46.34 94.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.321 178.676 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.449 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 53.0 mtpt -50.82 -47.48 60.03 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.378 178.999 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.423 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 35.8 tp60 -60.82 -38.19 84.58 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.91 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.937 ' CG ' HD23 ' A' ' 12' ' ' LEU . 55.7 t80 -53.43 -62.67 1.5 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.279 179.217 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.41 ' HB3' ' HA2' ' A' ' 38' ' ' GLY . 27.7 m-85 -68.48 -38.77 81.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.656 179.272 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.509 ' ND2' HG21 ' A' ' 39' ' ' VAL . 32.6 t-20 -50.53 -38.77 46.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.51 0.672 . . . . 0.0 109.746 178.536 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.423 ' OD2' ' NE2' ' B' ' 32' ' ' GLN . 57.2 m-20 -94.36 -23.12 17.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.856 -1.066 . . . . 0.0 112.472 -179.94 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.515 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.8 m-20 -82.0 -46.8 13.47 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.317 179.513 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -8.52 -114.25 0.0 OUTLIER Glycine 0 CA--C 1.52 0.395 0 N-CA-C 115.541 0.976 . . . . 0.0 115.541 179.935 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.643 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.7 t -111.24 5.05 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -176.384 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -125.19 10.47 8.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.734 -0.604 . . . . 0.0 111.921 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.42 173.45 54.85 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.0 -179.65 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 47.7 mp0 -95.93 101.72 13.43 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.759 0.314 . . . . 0.0 110.229 179.563 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.608 ' HH2' HG12 ' A' ' 30' ' ' VAL . 9.7 m95 -96.05 115.86 28.07 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -178.455 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.409 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 73.6 p -109.58 138.26 46.21 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.08 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 6.9 t80 -113.08 142.92 45.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 111.331 -178.933 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.514 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 65.2 t0 -123.37 84.17 2.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.599 179.762 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.415 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 12.6 m-20 -49.05 -35.64 16.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.297 -179.846 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.514 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.33 -35.6 28.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.042 -179.451 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 76.3 p -122.24 13.43 10.37 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.43 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.462 ' HE3' ' CE2' ' A' ' 3' ' ' TYR . 9.3 mmmm 49.91 34.24 7.64 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.689 0.281 . . . . 0.0 110.493 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.779 HG23 ' O ' ' A' ' 4' ' ' LYS . 93.3 m -125.81 144.29 50.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.198 0.523 . . . . 0.0 112.096 -178.666 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 2.9 m-85 -109.54 139.47 44.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.176 179.306 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.409 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 3.0 p -116.45 123.17 46.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.12 0.486 . . . . 0.0 111.189 179.283 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.08 112.49 40.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.141 179.217 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.643 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 19.0 m -101.79 112.24 24.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.99 -179.502 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.482 ' HG3' ' HA2' ' A' ' 9' ' ' GLY . 1.7 pp20? . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.772 -179.549 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.881 0.372 . . . . 0.0 111.341 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -104.14 142.01 35.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.001 179.159 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.54 ' CD2' ' HB3' ' B' ' 50' ' ' LYS . 49.0 m-85 -127.15 144.83 50.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.843 0.354 . . . . 0.0 111.255 -179.695 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.506 ' HA ' HG22 ' A' ' 17' ' ' THR . 5.1 tppp? -99.08 108.61 21.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.44 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.781 ' HB ' HG23 ' A' ' 16' ' ' THR . 47.5 t -94.61 126.95 46.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.051 0.453 . . . . 0.0 110.738 179.781 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.1 mt -104.44 119.41 53.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.93 -179.673 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.493 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.0 mt -98.69 88.04 3.95 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.483 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.705 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.4 t-20 -94.09 102.76 14.83 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -177.588 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.22 151.89 17.43 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.76 178.743 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HD3' ' HG3' ' B' ' 56' ' ' GLU . 4.3 mptp? -51.03 -52.53 42.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.789 0.328 . . . . 0.0 111.629 -179.532 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 p -99.18 -6.4 28.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.619 -179.103 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.95 HD13 ' HB ' ' B' ' 18' ' ' THR . 14.4 tp -134.04 135.78 43.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.921 -179.707 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.509 ' H ' HD12 ' A' ' 12' ' ' LEU . 60.8 mttp -144.92 143.2 30.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.604 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.537 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.71 -168.71 38.35 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.258 -0.972 . . . . 0.0 113.217 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -147.07 142.11 27.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.768 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.781 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -140.1 168.95 18.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.064 -179.72 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.506 HG22 ' HA ' ' A' ' 4' ' ' LYS . 73.2 p -143.68 121.09 11.66 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -179.041 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.95 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.7 t -106.07 144.7 32.41 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.451 178.303 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -103.92 112.33 25.26 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.428 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.748 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -143.35 149.4 37.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.198 0.523 . . . . 0.0 111.839 -179.307 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.7 t -50.94 -25.63 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.93 -179.068 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.483 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -156.09 178.14 10.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 111.402 179.683 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.07 99.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.588 -179.574 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.67 -54.08 44.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.452 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.867 ' O ' HG23 ' A' ' 29' ' ' VAL . 48.2 p -50.49 -45.39 56.35 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.233 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.669 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.65 -52.5 65.26 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.547 178.266 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 41.2 tt0 -54.85 -46.7 74.71 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 179.467 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.459 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 4.0 mmmp? -60.89 -45.71 93.49 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.07 179.316 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 25' ' ' THR . 90.3 t -57.97 -39.38 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.923 179.01 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.744 HG12 ' CH2' ' B' ' 43' ' ' TRP . 60.2 t -66.6 -49.31 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 177.969 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.592 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 33.4 mmtm -46.48 -52.27 13.56 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-O 121.221 0.534 . . . . 0.0 109.621 178.478 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.455 ' NE2' ' OD2' ' A' ' 36' ' ' ASP . 34.4 tp60 -60.87 -37.89 83.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.032 179.531 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.869 ' CG ' HD23 ' B' ' 12' ' ' LEU . 39.8 t80 -53.09 -64.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.238 179.357 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -68.48 -39.53 81.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.866 179.482 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.503 HD22 HG22 ' B' ' 39' ' ' VAL . 27.5 t-20 -52.06 -37.88 55.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.517 0.675 . . . . 0.0 109.538 178.399 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.455 ' OD2' ' NE2' ' A' ' 32' ' ' GLN . 29.8 m-20 -94.12 -26.4 16.73 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 114.785 -1.098 . . . . 0.0 112.573 -179.484 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.443 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.1 m-20 -77.48 -40.51 42.77 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.005 0.431 . . . . 0.0 109.953 179.393 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -8.07 -117.68 0.0 OUTLIER Glycine 0 CA--C 1.521 0.43 0 CA-C-N 114.578 -1.192 . . . . 0.0 115.936 -179.838 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.496 HG22 HD22 ' B' ' 35' ' ' ASN . 83.0 t -81.86 -55.62 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -175.937 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.36 26.06 1.77 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -177.032 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.19 144.67 48.1 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 119.985 -1.102 . . . . 0.0 112.46 179.405 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -79.34 94.72 5.54 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.499 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.747 ' CH2' HG12 ' B' ' 30' ' ' VAL . 6.4 m0 -107.56 132.65 53.03 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.639 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.9 p -112.47 141.82 45.76 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.239 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.5 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 20.7 t80 -111.87 145.5 39.39 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -178.231 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.455 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.2 t0 -123.51 81.86 1.94 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.979 178.908 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.01 -36.9 8.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.962 -179.187 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.455 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.14 -33.94 20.59 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.189 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.6 p -128.6 13.4 6.46 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.705 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.538 ' HB3' ' CD2' ' B' ' 3' ' ' TYR . 14.0 mptt 52.48 28.65 6.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.812 0.339 . . . . 0.0 110.615 -179.14 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 88.5 m -106.56 134.66 49.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.12 0.486 . . . . 0.0 111.904 -178.826 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 1.9 m-85 -111.41 142.07 44.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.469 178.981 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.2 p -119.54 121.39 39.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.044 0.449 . . . . 0.0 111.548 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.6 t -101.65 107.3 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.36 179.477 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.704 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 36.3 m -103.65 119.49 39.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.158 -179.481 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.486 ' HG2' ' HA2' ' B' ' 9' ' ' GLY . 16.8 pt-20 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.943 -179.601 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.999 0.428 . . . . 0.0 111.335 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -103.96 142.04 35.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.032 179.186 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.538 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 49.3 m-85 -127.2 144.81 50.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.927 0.394 . . . . 0.0 111.143 -179.663 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.51 ' HA ' HG22 ' B' ' 17' ' ' THR . 5.1 tppp? -99.07 108.56 21.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.529 179.832 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.781 ' HB ' HG23 ' B' ' 16' ' ' THR . 47.6 t -94.54 126.96 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.079 0.466 . . . . 0.0 110.691 179.829 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 68.4 mt -104.48 119.46 53.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.905 -179.716 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.0 mt -98.72 87.98 3.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.473 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.704 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.6 t-20 -94.01 102.81 14.9 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.612 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.29 151.86 17.42 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.122 -0.561 . . . . 0.0 111.732 178.755 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.411 ' HD3' ' HG3' ' A' ' 56' ' ' GLU . 4.3 mptp? -50.9 -52.65 39.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 111.611 -179.484 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 19.5 p -99.16 -6.4 28.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.576 -179.021 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.95 HD13 ' HB ' ' A' ' 18' ' ' THR . 14.5 tp -134.02 135.78 43.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.865 -179.68 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.507 ' H ' HD12 ' B' ' 12' ' ' LEU . 60.8 mttp -144.94 143.23 30.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.654 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.534 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.69 -168.66 38.27 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.279 -0.962 . . . . 0.0 113.216 -179.892 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -147.12 142.23 27.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.934 0.397 . . . . 0.0 110.724 179.853 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.781 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.1 OUTLIER -140.16 168.85 18.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.098 -179.678 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.51 HG22 ' HA ' ' B' ' 4' ' ' LYS . 73.3 p -143.59 120.99 11.65 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -179.058 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.95 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.7 t -106.04 144.63 32.48 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.491 178.227 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -103.82 112.35 25.27 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.392 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.745 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -143.3 149.41 37.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.154 0.502 . . . . 0.0 111.92 -179.219 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 t -51.0 -25.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.814 -179.007 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.485 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -156.04 178.21 10.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.857 0.36 . . . . 0.0 111.335 179.681 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.47 -43.11 99.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.583 -179.584 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.76 -53.96 46.3 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.582 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.868 ' O ' HG23 ' B' ' 29' ' ' VAL . 47.7 p -50.58 -45.22 57.1 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.241 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.672 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.8 -52.36 65.77 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.641 178.168 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 41.3 tt0 -54.83 -46.8 74.64 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.543 179.356 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.45 ' NZ ' ' HB3' ' B' ' 28' ' ' LYS . 4.0 mmmp? -60.82 -45.87 92.76 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.069 179.36 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.868 HG23 ' O ' ' B' ' 25' ' ' THR . 91.6 t -57.9 -39.38 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.912 179.021 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.747 HG12 ' CH2' ' A' ' 43' ' ' TRP . 59.8 t -66.63 -49.32 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.966 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.585 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 33.5 mmtm -46.29 -52.45 12.62 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.338 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.451 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 34.4 tp60 -60.75 -37.97 83.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.035 179.566 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.866 ' CG ' HD23 ' A' ' 12' ' ' LEU . 39.8 t80 -53.09 -64.1 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.207 179.361 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -68.45 -39.57 81.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.758 179.578 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.496 HD22 HG22 ' A' ' 39' ' ' VAL . 27.8 t-20 -51.92 -37.96 54.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.517 0.675 . . . . 0.0 109.516 178.441 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.451 ' OD2' ' NE2' ' B' ' 32' ' ' GLN . 29.6 m-20 -94.14 -26.32 16.75 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 114.775 -1.102 . . . . 0.0 112.634 -179.433 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.443 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.9 m-20 -77.5 -40.49 42.72 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.014 179.287 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -8.14 -117.67 0.0 OUTLIER Glycine 0 C--N 1.332 0.352 0 CA-C-N 114.607 -1.179 . . . . 0.0 115.978 -179.901 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.503 HG22 HD22 ' A' ' 35' ' ' ASN . 83.3 t -81.83 -55.68 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -175.924 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.23 25.95 1.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -177.099 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.19 144.66 48.09 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.013 -1.089 . . . . 0.0 112.333 179.538 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -79.33 94.7 5.53 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.435 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.744 ' CH2' HG12 ' A' ' 30' ' ' VAL . 6.4 m0 -107.57 132.57 53.13 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -178.608 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.424 ' OG1' ' OG1' ' B' ' 53' ' ' THR . 69.0 p -112.28 141.82 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 177.234 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 20.6 t80 -111.87 145.49 39.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.234 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.456 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.2 t0 -123.55 81.93 1.95 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.006 178.805 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.02 -36.99 8.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.886 -179.206 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.456 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.11 -33.83 20.04 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.158 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.6 p -128.7 13.33 6.4 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.711 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.54 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 14.0 mptt 52.52 28.58 6.14 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.902 0.382 . . . . 0.0 110.651 -179.177 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 88.6 m -106.62 134.6 49.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.159 0.504 . . . . 0.0 111.964 -178.838 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 1.9 m-85 -111.3 142.03 44.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.412 179.097 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.424 ' OG1' ' OG1' ' B' ' 44' ' ' THR . 3.3 p -119.49 121.31 39.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.185 0.517 . . . . 0.0 111.646 179.772 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 69.3 t -101.53 107.24 21.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.382 179.468 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.705 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 34.8 m -103.48 119.37 38.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.258 -179.597 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.491 ' HG2' ' HA2' ' A' ' 9' ' ' GLY . 16.8 pt-20 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.955 -179.634 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.453 ' HG2' ' CZ ' ' A' ' 3' ' ' TYR . 52.5 tpp . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 121.083 0.468 . . . . 0.0 111.495 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.456 ' NE2' ' HB ' ' A' ' 17' ' ' THR . 34.3 tp60 -98.4 129.79 45.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.408 178.867 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.453 ' CZ ' ' HG2' ' A' ' 1' ' ' MET . 87.2 m-85 -116.83 146.37 42.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.0 0.429 . . . . 0.0 111.395 -179.515 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.612 ' O ' HG23 ' B' ' 51' ' ' THR . 55.0 tptt -108.71 100.53 9.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.0 179.843 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.604 ' HB ' HG23 ' A' ' 16' ' ' THR . 96.0 t -94.02 132.68 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.94 0.4 . . . . 0.0 110.952 -179.478 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.737 HG22 ' OD1' ' A' ' 8' ' ' ASN . 59.9 mt -112.05 133.11 58.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.501 -179.838 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.485 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 16.2 mt -111.81 93.64 4.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.656 -179.319 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.737 ' OD1' HG22 ' A' ' 6' ' ' ILE . 6.2 m120 -98.2 109.69 22.4 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.597 -179.462 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.401 ' HA3' ' HE1' ' B' ' 33' ' ' PHE . . . -116.37 -166.05 14.34 Favored Glycine 0 C--N 1.329 0.19 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.622 179.617 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.474 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.3 mtmp? -80.98 -55.9 4.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.885 0.374 . . . . 0.0 110.4 179.719 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.419 ' HB ' HG11 ' B' ' 29' ' ' VAL . 3.6 p -105.34 3.53 29.92 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.984 -179.501 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.009 HD13 ' HB ' ' B' ' 18' ' ' THR . 23.5 tp -139.6 138.73 36.43 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.179 0.514 . . . . 0.0 111.809 -179.21 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.517 ' H ' HD12 ' A' ' 12' ' ' LEU . 2.1 mptp? -143.89 145.4 32.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.639 179.113 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.25 -172.29 42.5 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 119.722 -1.227 . . . . 0.0 113.558 -179.826 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.513 ' HB3' ' HE3' ' A' ' 4' ' ' LYS . 52.9 mp0 -141.03 151.1 43.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.356 -0.422 . . . . 0.0 110.185 179.768 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.784 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -151.12 168.4 24.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.968 -179.583 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.54 HG22 ' HA ' ' A' ' 4' ' ' LYS . 71.8 p -143.43 120.64 11.51 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -178.731 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' THR . . . . . 1.011 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.9 t -112.1 147.19 36.59 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.525 178.511 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -110.07 120.9 43.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.506 0.193 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.507 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -149.11 153.61 38.01 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.202 0.525 . . . . 0.0 112.048 -179.808 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 t -51.15 -25.8 4.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.771 -179.07 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.47 ' OD1' HG23 ' A' ' 25' ' ' THR . 6.8 p-10 -157.42 174.35 15.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.964 0.411 . . . . 0.0 111.492 179.71 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.463 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -58.91 -42.8 90.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.198 -179.697 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.64 -56.6 18.11 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.325 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.849 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.6 p -50.58 -44.37 56.82 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 178.344 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.758 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.15 -51.97 67.31 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.974 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -51.65 -50.19 60.83 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.075 179.301 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -45.8 85.95 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.427 179.471 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 25' ' ' THR . 91.9 t -56.33 -40.54 67.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.552 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.769 ' CG2' HG21 ' A' ' 18' ' ' THR . 97.2 t -66.59 -49.7 72.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 177.737 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' HA ' ' CH2' ' B' ' 43' ' ' TRP . 95.4 mttt -46.77 -48.26 20.63 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.422 0.63 . . . . 0.0 110.274 178.358 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -59.42 -34.84 72.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.55 -179.896 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.856 ' CG ' HD23 ' B' ' 12' ' ' LEU . 35.7 t80 -54.9 -62.21 1.81 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.076 179.055 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -68.75 -40.76 79.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.766 179.579 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.414 ' ND2' HG22 ' B' ' 39' ' ' VAL . 31.0 t-20 -49.35 -38.89 29.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.601 0.715 . . . . 0.0 109.703 178.249 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -94.62 -24.84 17.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.742 -1.117 . . . . 0.0 112.795 -179.566 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 38' ' ' GLY . 21.8 m120 -76.37 -41.93 46.36 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.211 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.15 -120.11 0.0 OUTLIER Glycine 0 CA--C 1.521 0.426 0 CA-C-N 114.524 -1.216 . . . . 0.0 115.888 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.416 HG22 ' ND2' ' B' ' 35' ' ' ASN . 89.6 t -84.83 -55.33 7.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 -175.708 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -86.96 26.92 1.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -176.959 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.96 159.45 53.89 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 119.899 -1.143 . . . . 0.0 112.095 179.336 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -88.04 96.56 10.56 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.88 0.34 . . . . 0.0 110.217 179.32 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.562 ' CH2' HG12 ' B' ' 30' ' ' VAL . 7.2 m0 -100.29 121.33 41.31 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.157 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.422 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 62.2 p -105.67 135.0 47.87 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 177.665 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 14.1 t80 -106.71 142.04 37.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.96 0.41 . . . . 0.0 112.055 -178.548 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.459 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 65.2 t0 -123.57 81.23 1.88 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.372 179.074 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.48 -36.06 6.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.619 -179.52 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.459 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.01 -34.09 20.13 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -179.229 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.3 p -128.36 12.72 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.505 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm 54.09 30.68 12.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 110.334 -179.557 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.615 HG23 ' O ' ' B' ' 4' ' ' LYS . 95.3 m -105.11 149.39 25.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.731 -178.918 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.507 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 26.0 m-85 -125.36 95.32 4.43 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 121.36 0.6 . . . . 0.0 111.886 179.537 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.422 ' HG1' ' HG1' ' A' ' 44' ' ' THR . 2.7 p -75.42 126.45 31.04 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.302 179.313 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.7 t -112.24 111.54 36.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.978 179.345 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.645 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 26.4 m -100.5 116.24 31.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.914 0.387 . . . . 0.0 111.783 -178.986 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.312 -0.851 . . . . 0.0 111.315 179.909 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.454 ' HG3' ' CE1' ' B' ' 3' ' ' TYR . 52.5 tpp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.976 0.417 . . . . 0.0 111.572 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.454 ' NE2' ' HB ' ' B' ' 17' ' ' THR . 34.3 tp60 -98.36 129.9 45.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.403 178.792 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.454 ' CE1' ' HG3' ' B' ' 1' ' ' MET . 86.9 m-85 -116.92 146.39 43.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 0.0 111.462 -179.587 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.615 ' O ' HG23 ' A' ' 51' ' ' THR . 55.0 tptt -108.66 100.46 9.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.084 179.891 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.605 ' HB ' HG23 ' B' ' 16' ' ' THR . 94.7 t -93.98 132.74 37.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.967 0.413 . . . . 0.0 110.981 -179.451 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.741 HG22 ' OD1' ' B' ' 8' ' ' ASN . 60.0 mt -112.14 133.02 59.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.57 -179.888 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 16.0 mt -111.64 93.49 4.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 -179.219 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.741 ' OD1' HG22 ' B' ' 6' ' ' ILE . 6.2 m120 -98.1 109.66 22.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.528 -179.426 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.47 -165.98 14.27 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.555 179.602 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.473 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.3 mtmp? -81.02 -55.87 4.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.922 0.392 . . . . 0.0 110.443 179.743 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.412 ' HB ' HG11 ' A' ' 29' ' ' VAL . 3.6 p -105.3 3.55 30.04 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.025 -179.596 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 1.011 HD13 ' HB ' ' A' ' 18' ' ' THR . 23.6 tp -139.62 138.81 36.45 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.25 0.548 . . . . 0.0 111.809 -179.287 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.518 ' H ' HD12 ' B' ' 12' ' ' LEU . 2.1 mptp? -143.89 145.45 32.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.583 179.107 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.509 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.26 -172.23 42.45 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 119.774 -1.203 . . . . 0.0 113.544 -179.894 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.513 ' HB3' ' HE3' ' B' ' 4' ' ' LYS . 52.9 mp0 -141.07 151.14 43.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.403 -0.399 . . . . 0.0 110.219 179.712 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.777 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -151.15 168.46 24.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.989 -179.579 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.54 HG22 ' HA ' ' B' ' 4' ' ' LYS . 72.5 p -143.46 120.56 11.44 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -178.693 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 18' ' ' THR . . . . . 1.009 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.0 t -112.0 147.24 36.37 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.632 178.529 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -110.16 120.89 43.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.591 0.234 . . . . 0.0 110.787 -179.949 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.504 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -149.1 153.5 37.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.195 0.521 . . . . 0.0 112.101 -179.808 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 25.2 t -51.01 -25.89 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.871 -179.177 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.466 ' OD1' HG23 ' B' ' 25' ' ' THR . 6.8 p-10 -157.33 174.48 15.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 111.607 179.563 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.461 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -58.85 -43.01 90.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.669 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.62 -56.44 19.82 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.448 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.847 ' O ' HG23 ' B' ' 29' ' ' VAL . 26.0 p -50.67 -44.39 57.73 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.308 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.757 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.15 -51.77 68.18 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.936 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -51.83 -50.2 61.33 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.009 179.341 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -45.71 86.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.491 179.437 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.847 HG23 ' O ' ' B' ' 25' ' ' THR . 92.5 t -56.48 -40.4 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.538 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.763 ' CG2' HG21 ' B' ' 18' ' ' THR . 99.7 t -66.74 -49.5 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 177.732 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.453 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . 95.2 mttt -47.01 -48.22 21.9 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.375 0.607 . . . . 0.0 110.171 178.499 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -59.32 -34.9 72.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.595 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.861 ' CG ' HD23 ' A' ' 12' ' ' LEU . 35.6 t80 -54.86 -62.32 1.74 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.004 179.078 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -68.6 -40.67 80.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.868 179.61 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.416 ' ND2' HG22 ' A' ' 39' ' ' VAL . 30.9 t-20 -49.55 -38.72 31.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.618 0.723 . . . . 0.0 109.731 178.313 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -94.86 -24.71 16.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.668 -1.151 . . . . 0.0 112.769 -179.484 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' B' ' 38' ' ' GLY . 21.9 m120 -76.37 -41.86 46.63 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.062 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.18 -120.13 0.0 OUTLIER Glycine 0 CA--C 1.521 0.411 0 CA-C-N 114.465 -1.243 . . . . 0.0 115.884 179.841 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.414 HG22 ' ND2' ' A' ' 35' ' ' ASN . 88.7 t -84.91 -55.13 7.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 -175.731 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -86.9 26.79 1.08 Allowed 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -177.087 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.01 159.54 53.93 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 119.831 -1.176 . . . . 0.0 112.017 179.422 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -88.15 96.63 10.61 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.361 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.559 ' CH2' HG12 ' A' ' 30' ' ' VAL . 7.2 m0 -100.29 121.26 41.2 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.257 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 44' ' ' THR . . . . . 0.414 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 63.0 p -105.54 134.93 47.85 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.671 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.504 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 14.0 t80 -106.72 142.08 36.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.071 0.462 . . . . 0.0 112.062 -178.626 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.455 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 65.2 t0 -123.49 81.29 1.88 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.386 179.053 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.58 -35.99 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.552 -179.492 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.455 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.11 -34.09 20.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.261 -179.191 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 72.4 p -128.34 12.78 6.55 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.494 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm 54.1 30.63 12.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.938 0.399 . . . . 0.0 110.395 -179.565 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 4' ' ' LYS . 95.5 m -105.25 149.36 26.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.655 -178.819 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.504 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 25.9 m-85 -125.35 95.34 4.43 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.424 0.631 . . . . 0.0 111.907 179.539 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.414 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 2.7 p -75.45 126.51 31.16 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.356 179.311 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 71.8 t -112.19 111.51 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.047 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.651 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 26.3 m -100.56 116.23 32.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.92 0.391 . . . . 0.0 111.784 -178.917 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.258 179.979 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtm . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 121.107 0.479 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -107.24 147.46 30.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.691 178.915 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.403 ' O ' ' HA ' ' A' ' 17' ' ' THR . 4.3 m-85 -129.38 148.51 51.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.742 0.306 . . . . 0.0 110.944 -179.738 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.817 ' O ' HG23 ' B' ' 51' ' ' THR . 24.4 ttmm -108.01 107.84 18.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.172 179.716 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.66 HG13 ' HB2' ' B' ' 52' ' ' PHE . 61.9 t -94.12 124.09 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.394 0.616 . . . . 0.0 111.496 -179.091 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' B' ' 53' ' ' THR . 72.2 mt -94.92 120.67 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.32 179.298 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.458 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.6 mt -99.0 88.64 4.03 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.752 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.531 ' O ' ' HA ' ' B' ' 55' ' ' THR . 32.2 t-20 -97.66 106.81 19.18 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.225 -177.951 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.84 -165.89 14.05 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.562 -0.827 . . . . 0.0 112.5 179.28 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.481 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.4 mtmp? -76.98 -56.5 4.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.709 0.29 . . . . 0.0 111.053 -179.933 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.63 ' OG1' HG13 ' B' ' 29' ' ' VAL . 7.1 p -108.19 7.86 27.67 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.219 -179.299 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.965 HD13 ' HB ' ' B' ' 18' ' ' THR . 25.7 tp -138.76 137.98 37.21 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.265 0.555 . . . . 0.0 111.532 -179.486 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.459 ' H ' HD12 ' A' ' 12' ' ' LEU . 96.9 mttt -145.45 146.29 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.749 179.192 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.542 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.6 -168.69 38.25 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 119.79 -1.195 . . . . 0.0 113.536 -179.854 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -146.54 135.27 22.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.962 0.41 . . . . 0.0 110.451 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.723 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -133.43 168.55 18.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.66 -179.961 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 4' ' ' LYS . 40.1 p -143.21 116.88 9.22 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.734 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.981 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.1 t -103.65 140.33 37.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.599 178.274 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -100.14 108.42 20.55 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.338 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.568 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -143.37 150.23 38.82 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.2 0.524 . . . . 0.0 112.125 -178.959 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -51.08 -36.86 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.218 -178.827 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.542 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -145.94 172.04 13.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.907 0.384 . . . . 0.0 111.446 179.807 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.63 -42.71 83.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.668 -179.365 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.68 -53.08 59.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.649 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.813 ' O ' HG23 ' A' ' 29' ' ' VAL . 76.9 p -53.51 -45.49 69.75 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.517 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.96 -52.89 63.45 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.092 177.986 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.34 -48.79 62.33 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.496 179.178 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -60.42 -43.42 96.75 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.07 0.462 . . . . 0.0 109.869 179.253 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 25' ' ' THR . 69.0 t -56.67 -41.41 74.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.243 178.932 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.613 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 30.6 t -66.4 -48.63 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.517 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 28.4 mtpp -49.29 -49.43 43.73 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.057 0.456 . . . . 0.0 110.069 178.711 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -60.66 -37.23 80.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.525 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.879 ' CG ' HD23 ' B' ' 12' ' ' LEU . 47.0 t80 -54.52 -60.44 3.34 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.053 179.087 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.427 ' CE2' HG12 ' A' ' 30' ' ' VAL . 24.2 m-85 -69.73 -39.78 76.59 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.771 179.167 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.468 ' ND2' HG21 ' B' ' 39' ' ' VAL . 35.8 t-20 -49.44 -39.67 34.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.553 0.692 . . . . 0.0 109.778 178.67 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.71 -22.89 17.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.649 -1.16 . . . . 0.0 112.608 -179.861 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.473 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.9 m-20 -79.14 -46.29 18.27 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.61 -0.436 . . . . 0.0 109.943 179.216 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.62 -117.32 0.0 OUTLIER Glycine 0 CA--C 1.52 0.389 0 CA-C-N 114.774 -1.103 . . . . 0.0 115.431 179.86 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.5 t -110.01 5.03 8.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -176.295 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -125.15 12.97 8.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 118.582 0.628 . . . . 0.0 111.94 -179.812 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.29 174.77 53.58 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.607 -0.806 . . . . 0.0 113.062 -179.714 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -96.17 99.38 11.12 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.387 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.604 ' HH2' HG12 ' B' ' 30' ' ' VAL . 20.8 m95 -91.4 111.86 23.53 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.468 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.4 p -108.32 134.9 50.5 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.188 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.497 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 9.0 t80 -111.41 147.08 35.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.053 0.454 . . . . 0.0 111.626 -178.845 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.462 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.8 t0 -123.23 81.9 1.94 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.6 179.509 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.412 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 54.8 m-20 -47.7 -35.16 9.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.617 -179.632 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.54 -33.7 15.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.979 -178.936 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.9 p -128.2 17.02 6.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.546 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mttm 48.47 35.65 6.2 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.107 0.479 . . . . 0.0 110.404 -179.425 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.808 HG23 ' O ' ' B' ' 4' ' ' LYS . 95.6 m -116.43 140.94 48.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.565 -178.84 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.664 ' HB2' HG13 ' B' ' 5' ' ' VAL . 24.6 m-85 -106.97 130.03 54.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.439 179.417 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 3.0 p -111.23 123.63 50.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.157 0.503 . . . . 0.0 111.593 179.395 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -107.0 106.6 20.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.102 178.697 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.526 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 8.5 m -93.66 109.83 21.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.939 0.399 . . . . 0.0 111.882 -178.267 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.143 179.747 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtm . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 121.089 0.471 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -107.27 147.45 30.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.691 178.894 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' B' ' 17' ' ' THR . 4.1 m-85 -129.42 148.35 51.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.704 0.288 . . . . 0.0 110.996 -179.627 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.808 ' O ' HG23 ' A' ' 51' ' ' THR . 24.4 ttmm -107.9 107.85 18.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.163 179.739 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.664 HG13 ' HB2' ' A' ' 52' ' ' PHE . 60.9 t -94.1 124.01 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.389 0.614 . . . . 0.0 111.559 -179.198 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 53' ' ' THR . 72.3 mt -94.89 120.64 44.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.279 179.352 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mt -98.98 88.58 4.02 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.669 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.526 ' O ' ' HA ' ' A' ' 55' ' ' THR . 32.2 t-20 -97.63 106.86 19.24 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.219 -177.807 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.93 -165.93 14.02 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.499 179.319 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.475 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.3 mtmp? -76.81 -56.69 4.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.868 0.366 . . . . 0.0 111.055 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.635 ' OG1' HG13 ' A' ' 29' ' ' VAL . 7.1 p -108.05 7.74 27.91 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.267 -179.256 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.981 HD13 ' HB ' ' A' ' 18' ' ' THR . 25.5 tp -138.76 138.14 37.35 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.347 0.594 . . . . 0.0 111.462 -179.485 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.458 ' H ' HD12 ' B' ' 12' ' ' LEU . 96.8 mttt -145.46 146.21 31.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.771 179.252 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.542 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.6 -168.66 38.21 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 119.808 -1.187 . . . . 0.0 113.537 -179.878 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -146.55 135.15 22.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.917 0.389 . . . . 0.0 110.505 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.71 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -133.51 168.49 18.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.661 -179.981 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.5 HG22 ' HA ' ' B' ' 4' ' ' LYS . 39.9 p -143.21 117.0 9.29 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.666 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.965 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.1 t -103.7 140.35 37.72 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.512 178.385 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -100.18 108.48 20.6 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.285 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -143.45 150.22 38.7 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.326 0.584 . . . . 0.0 112.138 -178.997 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.98 -36.99 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.153 -178.776 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.543 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -145.89 172.07 13.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.912 0.387 . . . . 0.0 111.42 179.888 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.65 84.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.616 -179.319 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.54 -53.16 58.89 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.542 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.81 ' O ' HG23 ' B' ' 29' ' ' VAL . 76.6 p -53.65 -45.44 70.22 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.612 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.561 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -59.94 -52.81 63.84 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.167 177.932 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.46 -48.75 62.7 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.512 179.129 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -60.41 -43.39 96.75 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.11 0.481 . . . . 0.0 109.882 179.215 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.81 HG23 ' O ' ' B' ' 25' ' ' THR . 69.0 t -56.78 -41.31 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.183 179.03 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.609 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 31.1 t -66.42 -48.67 80.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.51 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 28.3 mtpp -49.15 -49.49 42.08 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.094 0.473 . . . . 0.0 110.121 178.684 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -60.72 -37.11 80.6 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.073 179.593 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.883 ' CG ' HD23 ' A' ' 12' ' ' LEU . 46.5 t80 -54.6 -60.4 3.4 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.054 179.053 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.431 ' CE2' HG12 ' B' ' 30' ' ' VAL . 24.2 m-85 -69.69 -39.84 76.71 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.726 179.157 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.459 ' ND2' HG21 ' A' ' 39' ' ' VAL . 35.8 t-20 -49.43 -39.73 33.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.562 0.696 . . . . 0.0 109.814 178.661 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.68 -22.85 17.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.574 -1.194 . . . . 0.0 112.634 -179.849 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.474 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.9 m-20 -79.08 -46.28 18.4 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.019 0.438 . . . . 0.0 109.976 179.182 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.8 -117.32 0.0 OUTLIER Glycine 0 C--N 1.334 0.429 0 CA-C-N 114.724 -1.125 . . . . 0.0 115.335 179.932 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.647 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.5 t -110.02 5.12 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -176.233 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -125.22 13.1 8.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 118.565 0.62 . . . . 0.0 111.941 -179.886 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.41 174.8 53.48 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.988 -179.657 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -96.2 99.29 11.03 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.487 179.675 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.6 ' HH2' HG12 ' A' ' 30' ' ' VAL . 20.4 m95 -91.28 111.79 23.42 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -178.404 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 72.7 p -108.27 134.85 50.53 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.128 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 9.0 t80 -111.37 147.11 35.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.031 0.443 . . . . 0.0 111.663 -178.877 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.46 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.8 t0 -123.23 81.93 1.94 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.602 179.507 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.412 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 54.5 m-20 -47.73 -35.13 9.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.674 -179.642 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.46 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.68 -33.55 16.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.941 -178.907 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 72.6 p -128.32 17.03 6.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.458 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mttm 48.57 35.55 6.24 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.054 0.454 . . . . 0.0 110.362 -179.557 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.817 HG23 ' O ' ' A' ' 4' ' ' LYS . 95.3 m -116.38 141.0 48.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.648 -178.882 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.66 ' HB2' HG13 ' A' ' 5' ' ' VAL . 24.6 m-85 -106.98 130.05 54.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.326 179.58 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -111.32 123.55 50.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.209 0.528 . . . . 0.0 111.451 179.449 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -106.99 106.68 21.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.039 178.601 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.531 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 8.4 m -93.67 109.89 21.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.071 0.463 . . . . 0.0 111.811 -178.342 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.171 -0.918 . . . . 0.0 111.142 179.65 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.467 ' CE ' ' CZ ' ' A' ' 3' ' ' TYR . 4.9 tmm? . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.678 0.275 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -95.72 134.94 38.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.676 0.274 . . . . 0.0 110.478 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.467 ' CZ ' ' CE ' ' A' ' 1' ' ' MET . 93.9 m-85 -125.02 140.41 52.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.068 -179.939 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.507 ' O ' HG23 ' B' ' 51' ' ' THR . 4.8 ttmp? -105.59 110.33 22.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.067 179.367 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.626 HG21 HG21 ' A' ' 30' ' ' VAL . 59.7 t -94.89 135.27 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-O 121.242 0.544 . . . . 0.0 110.789 -179.824 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.822 HG22 ' OD1' ' A' ' 8' ' ' ASN . 69.2 mt -110.85 130.25 64.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.353 -179.775 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.523 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.6 mt -109.6 102.78 11.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.242 -179.427 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.822 ' OD1' HG22 ' A' ' 6' ' ' ILE . 6.2 m120 -105.36 102.68 12.15 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.048 -178.794 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.19 151.34 17.64 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.539 179.173 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -46.27 -55.91 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.77 0.319 . . . . 0.0 111.705 -179.82 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.607 ' HB ' HG11 ' B' ' 29' ' ' VAL . 3.2 p -98.89 -4.85 32.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.064 -178.848 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.966 HD13 ' HB ' ' B' ' 18' ' ' THR . 18.4 tp -137.17 137.14 38.86 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.359 -179.558 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.515 ' H ' HD12 ' A' ' 12' ' ' LEU . 27.6 mtpp -145.25 145.56 31.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.68 179.599 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.517 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.64 -171.17 42.8 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.095 -1.05 . . . . 0.0 113.589 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -138.08 151.15 47.54 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.57 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.768 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -151.21 168.99 23.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.956 -179.435 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.487 ' O ' HD12 ' B' ' 12' ' ' LEU . 73.2 p -143.67 122.84 12.93 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -179.023 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.967 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.9 t -111.17 144.51 40.21 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.964 178.874 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -104.78 113.67 27.4 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 179.602 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -146.11 151.29 37.46 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.245 0.545 . . . . 0.0 112.02 -179.327 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.3 t -50.94 -26.97 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.971 -179.006 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.481 ' OD1' HG23 ' A' ' 25' ' ' THR . 7.3 p-10 -158.95 174.44 14.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.964 0.411 . . . . 0.0 111.778 179.564 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.65 -42.42 88.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.204 -179.595 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' O ' ' HD3' ' A' ' 28' ' ' LYS . . . -62.16 -57.73 10.42 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.189 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.91 ' O ' HG23 ' A' ' 29' ' ' VAL . 31.1 p -50.53 -44.85 56.45 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.038 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.742 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.26 -49.86 76.21 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.528 178.246 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 2.8 tp10 -52.14 -48.4 64.9 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.431 179.617 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 10.9 mptt -65.58 -48.97 70.52 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.551 179.46 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 25' ' ' THR . 57.5 t -49.51 -41.36 15.71 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.543 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 26' ' ' ALA . 63.0 t -64.07 -46.38 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.555 177.393 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.62 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 37.3 mmtm -47.55 -52.96 15.87 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-O 121.134 0.493 . . . . 0.0 109.711 178.766 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.452 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 35.8 tp60 -57.59 -39.67 77.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.268 179.658 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.829 ' CD2' HD23 ' B' ' 12' ' ' LEU . 19.1 t80 -51.85 -67.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.007 179.411 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.451 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 26.1 m-85 -63.95 -36.86 85.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.208 179.439 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.452 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 29.4 t-20 -53.72 -38.81 64.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.391 0.615 . . . . 0.0 110.004 178.57 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -92.29 -24.01 19.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.864 -179.599 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 38' ' ' GLY . 79.7 m-20 -82.44 -46.13 13.88 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.013 0.435 . . . . 0.0 110.618 179.724 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -15.44 -110.84 0.0 OUTLIER Glycine 0 CA--C 1.52 0.361 0 N-CA-C 115.921 1.129 . . . . 0.0 115.921 -179.23 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 39' ' ' VAL . 22.7 t -111.15 5.4 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -176.7 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -125.61 6.35 7.53 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.869 -0.519 . . . . 0.0 111.539 179.891 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.58 176.03 51.0 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.234 -179.417 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 2.3 mp0 -117.22 121.15 40.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.751 0.31 . . . . 0.0 110.3 179.532 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.658 ' CG ' HG22 ' A' ' 54' ' ' VAL . 10.6 m0 -120.15 144.55 47.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.051 -179.847 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.5 p -113.73 142.78 45.62 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.159 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.488 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 14.2 t80 -109.21 142.37 40.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.979 0.419 . . . . 0.0 111.871 -178.785 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.433 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.3 t70 -123.48 81.68 1.92 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.301 179.296 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -48.33 -36.27 14.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.612 -179.485 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.433 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.93 -31.06 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.952 -179.274 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.9 p -128.13 13.59 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.77 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 50.98 33.14 8.4 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.763 0.316 . . . . 0.0 110.616 -179.755 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.554 HG21 ' CD1' ' B' ' 6' ' ' ILE . 93.4 m -121.76 141.7 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.272 0.558 . . . . 0.0 111.9 -178.822 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.488 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -111.39 147.17 35.79 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.156 179.67 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -122.26 128.97 51.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.043 0.449 . . . . 0.0 111.323 178.978 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.658 HG22 ' CG ' ' A' ' 43' ' ' TRP . 68.3 t -108.64 112.52 40.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.981 179.325 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.589 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 31.3 m -105.68 119.32 38.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.825 0.345 . . . . 0.0 111.917 -178.821 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.792 179.89 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.469 ' CE ' ' CZ ' ' B' ' 3' ' ' TYR . 4.9 tmm? . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.619 0.247 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -95.85 134.98 38.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.764 0.316 . . . . 0.0 110.428 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.469 ' CZ ' ' CE ' ' B' ' 1' ' ' MET . 93.9 m-85 -125.03 140.48 52.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.997 -179.916 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.507 ' O ' HG23 ' A' ' 51' ' ' THR . 4.8 ttmp? -105.59 110.26 22.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.109 179.36 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.626 HG21 HG21 ' B' ' 30' ' ' VAL . 59.9 t -94.84 135.31 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 121.245 0.545 . . . . 0.0 110.771 -179.804 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.83 HG22 ' OD1' ' B' ' 8' ' ' ASN . 69.2 mt -110.91 130.26 64.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.335 -179.789 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.5 mt -109.65 102.86 11.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.181 -179.431 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.83 ' OD1' HG22 ' B' ' 6' ' ' ILE . 6.2 m120 -105.38 102.73 12.18 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.092 -178.87 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.32 151.21 17.64 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.456 179.312 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -46.11 -55.99 6.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.744 0.307 . . . . 0.0 111.811 -179.923 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.617 ' HB ' HG11 ' A' ' 29' ' ' VAL . 3.2 p -98.71 -4.91 32.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.105 -178.915 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.967 HD13 ' HB ' ' A' ' 18' ' ' THR . 18.3 tp -137.17 137.16 38.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.743 0.306 . . . . 0.0 111.356 -179.446 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.521 ' H ' HD12 ' B' ' 12' ' ' LEU . 27.6 mtpp -145.34 145.48 31.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.631 179.671 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.519 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.71 -171.11 42.68 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.011 -1.09 . . . . 0.0 113.597 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -138.15 151.16 47.47 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.593 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.772 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -151.22 169.06 22.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.033 -179.503 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.484 ' O ' HD12 ' A' ' 12' ' ' LEU . 72.7 p -143.77 122.75 12.79 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.737 0.644 . . . . 0.0 112.737 -178.99 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.966 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.7 t -111.1 144.44 40.22 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.872 178.924 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -104.65 113.67 27.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.47 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -146.23 151.31 37.38 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.253 0.549 . . . . 0.0 111.952 -179.327 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 31.2 t -50.91 -26.94 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.97 -178.929 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.473 ' OD1' HG23 ' B' ' 25' ' ' THR . 7.3 p-10 -158.93 174.41 15.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 111.731 179.635 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.6 -42.44 88.1 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.3 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 24' ' ' ALA . . . . . 0.403 ' O ' ' HD3' ' B' ' 28' ' ' LYS . . . -62.15 -57.79 10.21 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.139 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.908 ' O ' HG23 ' B' ' 29' ' ' VAL . 31.4 p -50.47 -44.84 55.84 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.027 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.742 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.3 -49.79 76.49 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.567 178.274 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 2.8 tp10 -52.2 -48.32 65.13 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.502 179.59 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' B' ' 31' ' ' LYS . 10.9 mptt -65.63 -48.79 71.01 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.615 179.345 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.908 HG23 ' O ' ' B' ' 25' ' ' THR . 57.8 t -49.75 -41.24 16.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.621 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.742 HG23 ' O ' ' B' ' 26' ' ' ALA . 63.4 t -64.11 -46.4 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.394 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.616 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 37.3 mmtm -47.53 -53.02 15.56 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-O 121.154 0.502 . . . . 0.0 109.68 178.796 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.457 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 35.9 tp60 -57.56 -39.6 77.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.324 179.63 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.833 ' CD2' HD23 ' A' ' 12' ' ' LEU . 18.8 t80 -51.97 -67.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.093 179.449 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.451 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 26.0 m-85 -63.93 -36.89 85.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.256 179.33 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.457 ' HB3' ' HA ' ' B' ' 32' ' ' GLN . 29.3 t-20 -53.75 -38.8 64.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.359 0.6 . . . . 0.0 109.963 178.602 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -92.23 -24.07 19.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.855 -179.651 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' B' ' 38' ' ' GLY . 79.7 m-20 -82.56 -45.98 13.94 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.937 0.398 . . . . 0.0 110.626 179.787 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -15.48 -110.79 0.0 OUTLIER Glycine 0 CA--C 1.52 0.402 0 N-CA-C 115.953 1.141 . . . . 0.0 115.953 -179.301 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.643 HG12 ' O ' ' B' ' 39' ' ' VAL . 22.6 t -111.26 5.49 8.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -176.745 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -125.64 6.33 7.51 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.862 -0.523 . . . . 0.0 111.634 179.804 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.53 176.04 51.08 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.562 -0.828 . . . . 0.0 113.216 -179.436 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 2.3 mp0 -117.2 121.1 40.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.675 0.274 . . . . 0.0 110.376 179.538 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.661 ' CG ' HG22 ' B' ' 54' ' ' VAL . 10.5 m0 -119.96 144.46 47.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.153 -179.816 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 68.7 p -113.75 142.7 45.72 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.206 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.49 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 14.2 t80 -109.22 142.32 40.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.984 0.421 . . . . 0.0 111.895 -178.825 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.433 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.3 t70 -123.38 81.62 1.91 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.386 179.206 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -48.23 -36.23 13.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.624 -179.457 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.433 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.03 -31.05 11.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.914 -179.233 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.8 p -128.1 13.55 6.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -179.837 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp 51.11 33.03 8.55 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.751 0.31 . . . . 0.0 110.605 -179.821 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.554 HG21 ' CD1' ' A' ' 6' ' ' ILE . 93.0 m -121.71 141.7 50.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.23 0.538 . . . . 0.0 112.004 -178.876 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.49 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 0.9 OUTLIER -111.43 147.3 35.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.183 179.712 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.0 p -122.26 128.97 51.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.054 0.454 . . . . 0.0 111.28 179.12 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.661 HG22 ' CG ' ' B' ' 43' ' ' TRP . 68.0 t -108.73 112.58 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.912 179.336 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.597 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 32.0 m -105.82 119.28 38.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.361 . . . . 0.0 111.892 -178.804 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.805 179.881 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.463 ' HE3' ' CZ ' ' A' ' 3' ' ' TYR . 49.3 ttp . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.836 0.35 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -102.75 144.37 31.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.163 179.333 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.463 ' CZ ' ' HE3' ' A' ' 1' ' ' MET . 3.0 m-85 -130.79 148.68 52.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.873 0.368 . . . . 0.0 110.762 -179.922 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' B' ' 51' ' ' THR . 5.0 ttpm? -107.41 151.2 25.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.913 179.444 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.741 ' HB ' HG23 ' A' ' 16' ' ' THR . 58.2 t -134.57 121.94 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.416 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.526 ' HB ' HG22 ' B' ' 53' ' ' THR . 76.8 mt -94.74 124.83 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.057 179.497 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.473 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 12.3 mt -105.73 85.96 2.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.445 -179.23 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.612 ' O ' ' HA ' ' B' ' 55' ' ' THR . 71.0 m-20 -94.05 109.75 21.49 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.747 -179.302 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.422 ' HA3' ' HE1' ' B' ' 33' ' ' PHE . . . -116.44 -165.86 14.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.671 179.568 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' NZ ' ' HB3' ' A' ' 10' ' ' LYS . 0.9 OUTLIER -75.94 -58.0 3.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.11 0.481 . . . . 0.0 110.558 179.957 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.504 ' OG1' HG13 ' B' ' 29' ' ' VAL . 6.6 p -108.79 8.49 26.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.237 -179.329 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.978 HD13 ' HB ' ' B' ' 18' ' ' THR . 23.9 tp -140.08 139.58 35.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.192 0.52 . . . . 0.0 111.489 -179.407 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.495 ' H ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -145.22 147.17 32.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.012 179.391 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.09 -166.14 35.5 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 119.839 -1.172 . . . . 0.0 113.666 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -149.1 152.7 36.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.932 0.396 . . . . 0.0 110.683 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.741 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -151.06 169.48 21.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.633 -179.69 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.464 ' O ' HD12 ' B' ' 12' ' ' LEU . 43.0 p -142.22 119.59 11.58 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -178.49 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.984 ' HB ' HD13 ' B' ' 12' ' ' LEU . 15.0 t -107.79 141.61 39.1 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.571 179.25 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' A' ' 1' ' ' MET . 17.9 tp10 -98.6 110.34 22.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.885 179.29 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.686 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -146.62 147.43 31.06 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 121.255 0.55 . . . . 0.0 111.953 -179.15 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.2 -35.36 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.438 -178.792 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.6 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -148.84 172.75 14.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 0.0 111.391 179.892 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.03 -43.16 86.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.496 -179.452 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.58 -54.32 41.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.694 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.875 ' O ' HG23 ' A' ' 29' ' ' VAL . 71.0 p -53.9 -45.81 71.22 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 178.281 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.686 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.1 -54.16 50.19 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 177.8 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -48.18 -49.28 33.21 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.214 178.811 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -61.1 -45.22 95.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.748 178.964 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 25' ' ' THR . 98.7 t -58.16 -39.52 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.195 179.085 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.615 HG12 ' CH2' ' B' ' 43' ' ' TRP . 99.0 t -68.69 -51.58 44.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.268 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 51.5 mttp -50.48 -41.58 53.34 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.872 0.367 . . . . 0.0 110.05 178.616 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -64.03 -37.11 86.25 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.457 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.912 ' CG ' HD23 ' B' ' 12' ' ' LEU . 51.0 t80 -55.01 -60.38 3.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.215 179.171 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -69.28 -40.38 77.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.796 179.497 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 28.6 t-20 -50.56 -38.3 44.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.499 0.666 . . . . 0.0 109.89 178.54 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.29 -23.32 17.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.431 -179.659 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.466 ' O ' ' C ' ' A' ' 38' ' ' GLY . 21.6 m120 -80.89 -46.74 14.77 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.664 -0.414 . . . . 0.0 109.946 179.178 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.32 -115.58 0.0 OUTLIER Glycine 0 CA--C 1.52 0.374 0 N-CA-C 115.683 1.033 . . . . 0.0 115.683 179.743 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 39' ' ' VAL . 24.7 t -103.85 -0.44 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -175.947 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -125.2 16.7 8.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 119.126 0.875 . . . . 0.0 112.086 -179.626 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.86 167.81 53.05 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.488 -0.863 . . . . 0.0 113.145 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 47.6 mp0 -95.3 99.48 11.42 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.288 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.613 ' CH2' HG12 ' B' ' 30' ' ' VAL . 10.5 m0 -99.45 123.34 43.64 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -177.966 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.1 p -109.94 135.9 50.07 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 177.8 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.511 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 26.3 t80 -104.86 144.57 31.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.068 0.461 . . . . 0.0 111.938 -178.727 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.437 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 63.9 t0 -123.21 81.23 1.86 Allowed 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.649 179.32 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.57 -36.57 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.795 -179.392 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.437 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.97 -33.67 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -178.887 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.7 p -128.32 15.74 6.64 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.659 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm 52.39 31.97 10.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.946 0.403 . . . . 0.0 110.293 -179.695 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 97.6 m -105.94 151.65 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.171 -179.385 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.561 ' O ' HG13 ' B' ' 5' ' ' VAL . 22.8 m-85 -124.61 95.77 4.65 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.108 0.48 . . . . 0.0 111.51 179.602 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.526 HG22 ' HB ' ' B' ' 6' ' ' ILE . 2.5 p -75.22 124.91 27.9 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.787 179.715 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.6 t -108.28 98.59 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.277 178.81 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 3.5 m -91.89 116.54 29.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.499 -178.677 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.783 179.88 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.415 ' O ' ' OE2' ' B' ' 19' ' ' GLU . 49.5 ttp . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.773 0.32 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -102.61 144.34 31.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.252 179.276 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.413 ' CZ ' ' HE3' ' B' ' 1' ' ' MET . 3.0 m-85 -130.78 148.72 52.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.97 0.414 . . . . 0.0 110.78 -179.933 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 51' ' ' THR . 5.0 ttpm? -107.48 151.28 25.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.911 179.473 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.731 ' HB ' HG23 ' B' ' 16' ' ' THR . 58.0 t -134.7 121.83 36.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.275 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.526 ' HB ' HG22 ' A' ' 53' ' ' THR . 76.7 mt -94.65 124.78 47.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.14 179.497 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 12.3 mt -105.77 85.9 2.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.435 -179.172 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.614 ' O ' ' HA ' ' A' ' 55' ' ' THR . 70.7 m-20 -94.04 109.76 21.49 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.842 -179.357 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.422 ' HA3' ' HE1' ' A' ' 33' ' ' PHE . . . -116.45 -165.91 14.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.597 179.673 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.466 ' NZ ' ' HB3' ' B' ' 10' ' ' LYS . 0.9 OUTLIER -75.92 -58.03 3.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.022 0.439 . . . . 0.0 110.536 179.96 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.503 ' OG1' HG13 ' A' ' 29' ' ' VAL . 6.5 p -108.71 8.59 26.94 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.291 -179.333 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.984 HD13 ' HB ' ' A' ' 18' ' ' THR . 23.8 tp -140.21 139.43 35.64 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.149 0.5 . . . . 0.0 111.512 -179.315 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.492 ' H ' HD12 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -145.13 147.21 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.993 179.409 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.505 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.01 -166.21 35.66 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 119.825 -1.179 . . . . 0.0 113.658 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -149.05 152.77 36.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.878 0.37 . . . . 0.0 110.715 -179.915 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.731 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.1 OUTLIER -151.14 169.36 22.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.702 -179.624 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.453 ' O ' HD12 ' A' ' 12' ' ' LEU . 42.3 p -142.17 119.6 11.62 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.426 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.978 ' HB ' HD13 ' A' ' 12' ' ' LEU . 14.9 t -107.75 141.61 39.03 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.599 179.22 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 19' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' B' ' 1' ' ' MET . 17.9 tp10 -98.58 110.19 22.83 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.304 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.68 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -146.53 147.55 31.26 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.173 0.511 . . . . 0.0 112.036 -179.281 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.23 -35.48 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.312 -178.733 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.6 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -148.87 172.72 14.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.867 0.365 . . . . 0.0 111.394 179.892 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.22 86.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.526 -179.417 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.48 -54.21 43.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.604 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.88 ' O ' HG23 ' B' ' 29' ' ' VAL . 70.9 p -54.01 -45.75 71.61 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.309 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.68 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -59.23 -54.11 50.65 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 177.896 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -48.21 -49.18 33.92 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.24 178.817 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -61.14 -45.34 95.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.743 178.97 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.88 HG23 ' O ' ' B' ' 25' ' ' THR . 97.2 t -58.03 -39.54 72.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.141 179.082 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.613 HG12 ' CH2' ' A' ' 43' ' ' TRP . 98.9 t -68.77 -51.64 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.403 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 51.5 mttp -50.37 -41.57 52.02 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 120.915 0.388 . . . . 0.0 110.105 178.612 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -63.97 -37.29 86.86 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.436 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.901 ' CG ' HD23 ' A' ' 12' ' ' LEU . 50.9 t80 -54.83 -60.43 3.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.276 179.109 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -69.32 -40.21 77.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.822 179.506 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' B' ' 31' ' ' LYS . 28.6 t-20 -50.85 -38.21 47.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.477 0.656 . . . . 0.0 109.885 178.515 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.24 -23.27 17.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.878 -1.055 . . . . 0.0 112.444 -179.767 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.469 ' O ' ' C ' ' B' ' 38' ' ' GLY . 21.5 m120 -80.93 -46.56 14.99 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.022 179.179 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.57 -115.65 0.0 OUTLIER Glycine 0 CA--C 1.52 0.39 0 N-CA-C 115.627 1.011 . . . . 0.0 115.627 179.751 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.616 HG12 ' O ' ' B' ' 39' ' ' VAL . 24.0 t -103.66 -0.39 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -175.952 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -125.3 16.96 8.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 119.061 0.846 . . . . 0.0 112.06 -179.722 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.82 167.79 53.07 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.099 -179.66 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.46 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 48.0 mp0 -95.29 99.64 11.55 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.22 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.615 ' CH2' HG12 ' A' ' 30' ' ' VAL . 10.5 m0 -99.73 123.27 43.83 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -177.951 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.7 p -109.86 135.8 50.17 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.888 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 26.1 t80 -104.92 144.66 31.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.999 0.428 . . . . 0.0 111.988 -178.805 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.429 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.1 t0 -123.26 81.28 1.87 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.634 179.432 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.63 -36.63 7.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.844 -179.366 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.429 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.8 -33.79 17.62 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.929 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.3 p -128.25 15.63 6.68 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.613 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 52.34 31.98 10.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.894 0.378 . . . . 0.0 110.36 -179.591 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 97.2 m -105.68 151.68 24.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.307 -179.498 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.558 ' O ' HG13 ' A' ' 5' ' ' VAL . 22.9 m-85 -124.72 95.78 4.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.158 0.504 . . . . 0.0 111.45 179.569 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.526 HG22 ' HB ' ' A' ' 6' ' ' ILE . 2.6 p -75.28 124.96 28.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.798 179.635 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.9 t -108.3 98.67 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.279 178.739 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.612 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 3.6 m -92.02 116.45 28.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.592 -178.739 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.874 179.935 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.704 0.287 . . . . 0.0 110.365 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -104.51 137.97 41.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.456 ' CE2' ' HE3' ' B' ' 50' ' ' LYS . 12.9 m-85 -121.37 148.83 43.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.744 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.594 ' O ' HG23 ' B' ' 51' ' ' THR . 62.8 tttp -108.29 104.88 14.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.111 179.782 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.61 HG21 HG21 ' A' ' 30' ' ' VAL . 64.2 t -94.4 120.33 43.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.442 0.639 . . . . 0.0 111.36 -179.381 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.406 ' CD1' HG21 ' B' ' 51' ' ' THR . 68.7 mt -96.03 125.67 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.868 179.838 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.49 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 19.2 mt -104.82 93.52 4.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.5 179.606 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.7 t-20 -100.35 109.45 21.64 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.792 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.437 ' CA ' ' HB3' ' B' ' 56' ' ' GLU . . . -118.47 -166.29 13.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.606 179.217 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.57 ' HG2' ' HG2' ' B' ' 56' ' ' GLU . 4.9 mmmp? -80.33 -57.27 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 0.0 111.025 179.918 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.449 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 8.2 p -103.76 3.87 34.57 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.274 -179.482 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.968 HD13 ' HB ' ' B' ' 18' ' ' THR . 22.8 tp -137.76 138.47 39.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.316 0.579 . . . . 0.0 111.619 -179.461 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.524 ' H ' HD12 ' A' ' 12' ' ' LEU . 51.1 mtmt -145.18 143.68 30.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.824 179.449 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.487 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.53 -174.64 42.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 119.845 -1.169 . . . . 0.0 113.577 -179.94 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -140.97 135.91 31.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.8 0.334 . . . . 0.0 110.176 179.696 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.781 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -135.67 167.21 21.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.991 -179.818 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.573 HG22 ' HA ' ' A' ' 4' ' ' LYS . 51.2 p -143.35 119.08 10.48 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -178.588 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.976 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.0 t -107.59 144.45 34.61 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.89 178.617 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -102.75 114.08 28.03 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.437 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.538 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -148.2 152.39 37.14 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.305 0.574 . . . . 0.0 112.287 -179.212 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.3 t -51.11 -35.57 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.329 -178.899 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.511 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -148.41 172.13 14.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.37 . . . . 0.0 111.453 179.832 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.33 -42.71 87.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.375 -179.467 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.3 -55.63 26.31 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.452 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.878 ' O ' HG23 ' A' ' 29' ' ' VAL . 35.1 p -51.73 -44.66 63.32 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.362 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.882 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.49 -51.24 70.3 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.058 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 89.3 tt0 -51.37 -50.18 60.05 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.755 179.359 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -64.28 -45.16 89.27 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.547 179.384 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 25' ' ' THR . 98.6 t -55.07 -40.86 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.657 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 26' ' ' ALA . 22.0 t -65.63 -47.13 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.295 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.473 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 9.4 mtpm? -47.51 -49.6 25.54 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.368 0.604 . . . . 0.0 109.724 178.509 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.401 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 24.8 tt0 -58.61 -37.15 75.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.461 179.933 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.895 ' CG ' HD23 ' B' ' 12' ' ' LEU . 47.0 t80 -53.8 -64.82 0.7 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.874 178.863 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.462 ' CE2' HG12 ' A' ' 30' ' ' VAL . 28.5 m-85 -65.57 -39.14 91.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.347 179.22 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.493 ' ND2' HG21 ' B' ' 39' ' ' VAL . 34.8 t-20 -50.61 -38.82 47.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.487 0.66 . . . . 0.0 109.774 178.42 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -94.52 -22.29 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.195 -179.807 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.487 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.5 m-20 -83.32 -46.6 12.42 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.675 179.826 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -10.71 -112.19 0.0 OUTLIER Glycine 0 CA--C 1.522 0.495 0 N-CA-C 115.678 1.031 . . . . 0.0 115.678 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.5 t -111.3 5.32 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -176.419 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -122.62 10.76 9.75 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.74 -0.6 . . . . 0.0 111.987 -179.626 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.18 179.31 50.83 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.895 -179.826 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 49.0 mp0 -103.95 103.91 13.81 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.596 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.561 ' HH2' HG12 ' B' ' 30' ' ' VAL . 12.9 m95 -94.74 118.69 32.15 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.638 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.7 p -111.47 138.09 48.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.578 178.424 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.532 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 9.6 t80 -110.54 145.91 36.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 111.655 -178.889 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.551 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.3 t70 -123.15 81.85 1.93 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.632 179.61 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.417 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 52.1 m-20 -45.86 -35.71 4.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.808 -179.523 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.551 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.71 -35.86 23.4 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.908 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.2 p -128.23 15.74 6.69 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.759 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HE3' ' CE2' ' B' ' 3' ' ' TYR . 31.3 mmmt 51.87 32.06 9.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.017 0.436 . . . . 0.0 110.048 -179.57 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.604 HG23 ' O ' ' B' ' 4' ' ' LYS . 85.2 m -110.96 149.97 29.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.664 -178.766 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.532 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 31.1 m-85 -119.32 134.05 55.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.996 179.096 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -111.14 93.17 4.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.184 0.516 . . . . 0.0 111.757 179.326 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.4 t -82.6 118.46 30.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.151 178.867 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.463 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 11.0 m -85.09 160.32 20.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.265 0.555 . . . . 0.0 111.796 -178.2 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.564 ' HG2' ' HG2' ' B' ' 10' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.228 179.554 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.726 0.298 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -104.6 138.07 41.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.957 0.408 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.454 ' CE2' ' HE3' ' A' ' 50' ' ' LYS . 13.3 m-85 -121.39 148.83 43.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 179.732 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.604 ' O ' HG23 ' A' ' 51' ' ' THR . 62.8 tttp -108.2 104.81 14.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.306 179.631 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.62 HG21 HG21 ' B' ' 30' ' ' VAL . 63.5 t -94.42 120.38 43.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.445 0.64 . . . . 0.0 111.406 -179.299 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.408 ' CD1' HG21 ' A' ' 51' ' ' THR . 68.9 mt -96.04 125.68 48.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.874 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 19.0 mt -104.77 93.56 4.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.462 179.619 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.7 t-20 -100.53 109.49 21.6 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -177.779 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.443 ' CA ' ' HB3' ' A' ' 56' ' ' GLU . . . -118.42 -166.36 13.64 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.606 179.25 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.564 ' HG2' ' HG2' ' A' ' 56' ' ' GLU . 4.9 mmmp? -80.38 -57.36 3.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.449 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 8.3 p -103.72 3.91 34.74 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.335 -179.429 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.976 HD13 ' HB ' ' A' ' 18' ' ' THR . 22.9 tp -137.67 138.44 39.41 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.197 0.522 . . . . 0.0 111.672 -179.468 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.52 ' H ' HD12 ' B' ' 12' ' ' LEU . 51.1 mtmt -145.21 143.74 30.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.849 179.345 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.55 -174.72 42.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 119.814 -1.184 . . . . 0.0 113.486 -179.824 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -140.96 136.05 31.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.915 0.388 . . . . 0.0 110.136 179.636 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.775 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -135.7 167.24 21.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.946 -179.764 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.573 HG22 ' HA ' ' B' ' 4' ' ' LYS . 50.7 p -143.46 119.02 10.37 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -178.629 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.968 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.1 t -107.57 144.43 34.6 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.924 178.607 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -102.71 113.91 27.71 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.488 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.53 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -148.09 152.36 37.22 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.235 0.541 . . . . 0.0 112.416 -179.239 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.2 t -51.18 -35.53 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.258 -178.872 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.503 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -148.42 172.14 14.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.899 0.38 . . . . 0.0 111.404 179.891 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.2 -42.88 87.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.394 -179.562 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.18 -55.61 26.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.48 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.875 ' O ' HG23 ' B' ' 29' ' ' VAL . 35.5 p -51.76 -44.67 63.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.363 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.869 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.41 -51.31 70.02 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.04 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' B' ' 31' ' ' LYS . 89.2 tt0 -51.28 -50.21 59.73 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.879 179.288 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -64.32 -45.07 89.51 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.549 179.366 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.875 HG23 ' O ' ' B' ' 25' ' ' THR . 98.7 t -55.04 -40.93 56.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.574 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.869 HG23 ' O ' ' B' ' 26' ' ' ALA . 21.9 t -65.52 -47.17 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.211 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.473 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 9.4 mtpm? -47.46 -49.62 25.04 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.43 0.633 . . . . 0.0 109.836 178.486 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -58.52 -37.25 75.23 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.392 179.895 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.896 ' CG ' HD23 ' A' ' 12' ' ' LEU . 47.0 t80 -53.75 -64.81 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.921 178.885 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.466 ' CE2' HG12 ' B' ' 30' ' ' VAL . 28.6 m-85 -65.48 -39.28 91.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.376 179.132 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.488 ' ND2' HG21 ' A' ' 39' ' ' VAL . 34.8 t-20 -50.5 -39.02 47.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.519 0.676 . . . . 0.0 109.762 178.44 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -94.35 -22.46 18.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.794 -1.094 . . . . 0.0 112.21 -179.781 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.487 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.5 m-20 -83.22 -46.69 12.39 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.594 179.895 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -10.77 -112.22 0.0 OUTLIER Glycine 0 CA--C 1.521 0.456 0 N-CA-C 115.689 1.036 . . . . 0.0 115.689 -179.844 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.4 t -111.2 5.31 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -176.416 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -122.54 10.74 9.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.685 -0.634 . . . . 0.0 111.944 -179.622 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.25 179.36 50.75 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.847 -179.734 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 48.8 mp0 -103.99 103.92 13.81 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.61 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.574 ' HH2' HG12 ' A' ' 30' ' ' VAL . 13.1 m95 -94.81 118.65 32.1 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -178.6 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 56.4 p -111.48 138.09 48.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.537 178.393 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.532 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 9.7 t80 -110.55 145.88 37.02 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.859 0.362 . . . . 0.0 111.685 -178.889 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.549 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.3 t70 -123.09 81.98 1.94 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.595 179.628 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.42 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 52.1 m-20 -45.94 -35.77 4.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.73 -179.555 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.549 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.71 -35.81 23.2 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.844 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.2 p -128.33 15.87 6.63 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.744 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.456 ' HE3' ' CE2' ' A' ' 3' ' ' TYR . 31.3 mmmt 51.83 32.05 9.16 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.0 0.429 . . . . 0.0 110.096 -179.596 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 4' ' ' LYS . 85.1 m -111.06 150.0 29.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.542 -178.66 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.532 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 31.0 m-85 -119.36 134.09 55.39 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.96 179.11 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -111.22 93.24 4.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.328 0.585 . . . . 0.0 111.758 179.294 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 49.7 t -82.62 118.43 30.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.169 178.827 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.462 ' O ' ' OD1' ' B' ' 37' ' ' ASN . 10.9 m -85.07 160.35 20.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.229 0.537 . . . . 0.0 111.818 -178.179 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.57 ' HG2' ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.305 179.534 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.7 mmm . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.808 0.337 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -99.81 132.67 45.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.312 179.63 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -126.81 143.96 51.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.789 ' O ' HG23 ' B' ' 51' ' ' THR . 40.1 ttmt -105.43 110.13 22.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.699 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.5 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.2 t -95.21 126.73 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.36 0.6 . . . . 0.0 110.766 179.878 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.0 mt -101.75 127.1 55.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.602 -179.921 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.501 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.4 mt -106.59 84.96 2.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.37 -179.32 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.558 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.9 m120 -90.66 102.7 15.45 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.122 0.487 . . . . 0.0 112.248 -179.122 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.74 151.95 17.26 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.516 179.248 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -46.02 -58.17 3.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.825 0.345 . . . . 0.0 111.69 179.784 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.442 ' HB ' HG11 ' B' ' 29' ' ' VAL . 4.2 p -98.17 -5.88 32.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.926 -178.945 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.944 HD13 ' HB ' ' B' ' 18' ' ' THR . 14.3 tp -134.53 135.46 42.37 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.055 -179.691 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.512 ' H ' HD12 ' A' ' 12' ' ' LEU . 60.2 mttp -145.14 144.74 31.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.64 179.943 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.503 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.93 -168.63 39.04 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.16 -1.019 . . . . 0.0 113.416 179.78 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -143.47 141.87 30.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.836 0.351 . . . . 0.0 110.462 179.842 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.715 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -142.66 169.19 18.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.129 -179.422 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.55 HG22 ' HA ' ' A' ' 4' ' ' LYS . 70.7 p -143.64 121.55 12.02 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -178.964 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.944 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.9 t -106.07 142.6 35.5 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.892 178.704 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -102.49 114.45 28.66 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 179.648 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.621 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.04 151.06 33.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.229 0.538 . . . . 0.0 112.172 -179.402 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -51.12 -36.73 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.261 -178.732 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.62 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -145.61 171.32 14.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.833 0.349 . . . . 0.0 111.329 179.784 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.31 -42.74 82.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.545 -179.336 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.81 -54.4 39.46 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.587 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.894 ' O ' HG23 ' A' ' 29' ' ' VAL . 76.0 p -52.74 -46.02 67.26 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.426 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.621 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.85 -53.28 59.76 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.04 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 88.9 tt0 -50.62 -48.88 57.85 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.497 178.851 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -58.79 -41.19 86.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 179.493 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 25' ' ' THR . 58.4 t -56.44 -39.96 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.406 179.611 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.592 HG12 ' CH2' ' B' ' 43' ' ' TRP . 57.9 t -62.9 -47.35 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.608 178.795 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' CE ' ' CZ3' ' B' ' 43' ' ' TRP . 1.2 mptm? -50.97 -47.5 61.31 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.464 179.108 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.417 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -64.6 -39.77 94.32 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.846 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.797 ' CD2' HD23 ' B' ' 12' ' ' LEU . 29.6 t80 -53.91 -58.8 5.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.433 179.413 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.483 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 24.3 m-85 -70.23 -38.28 75.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.802 179.604 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.606 HD22 HG21 ' B' ' 39' ' ' VAL . 11.7 t-20 -51.68 -38.59 55.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.353 0.597 . . . . 0.0 110.164 178.409 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -94.01 -24.54 17.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.424 -179.333 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 38' ' ' GLY . 88.2 m-20 -79.28 -46.28 18.08 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.102 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.45 ' HA2' ' CB ' ' B' ' 34' ' ' PHE . . . -7.52 -118.88 0.0 OUTLIER Glycine 0 C--N 1.334 0.439 0 CA-C-N 114.595 -1.184 . . . . 0.0 115.815 179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.664 HG12 ' O ' ' A' ' 39' ' ' VAL . 40.7 t -111.89 4.99 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -176.984 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -125.29 9.23 7.91 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 121.977 -0.452 . . . . 0.0 111.559 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.33 179.14 51.72 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.853 -179.705 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -114.74 117.92 32.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.926 0.393 . . . . 0.0 110.819 179.785 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.614 ' CG ' HG22 ' A' ' 54' ' ' VAL . 12.0 m0 -121.53 146.38 47.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.799 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -115.33 142.59 46.48 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.3 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 9.7 t80 -109.51 144.74 37.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 111.589 -178.936 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.432 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.8 t0 -123.3 82.93 2.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.698 179.607 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.412 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 54.0 m-20 -45.6 -37.91 6.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.644 -179.642 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.432 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.09 -32.13 14.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.009 -179.134 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.8 p -128.09 13.18 6.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.592 -179.794 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' CB ' ' NZ ' ' A' ' 50' ' ' LYS . 3.1 mtmp? 47.94 37.88 8.27 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.924 0.392 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.79 HG23 ' O ' ' B' ' 4' ' ' LYS . 94.6 m -121.69 140.71 51.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.404 -179.382 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.509 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.5 m-85 -108.34 145.73 34.03 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.874 179.549 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -122.37 129.81 52.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.241 0.543 . . . . 0.0 111.201 179.316 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.614 HG22 ' CG ' ' A' ' 43' ' ' TRP . 90.4 t -107.95 110.2 31.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.318 179.736 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.557 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 18.0 m -102.65 115.57 30.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.928 0.394 . . . . 0.0 111.381 -179.249 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.713 179.926 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.4 mmm . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.919 0.39 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -99.76 132.65 44.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.445 179.502 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -126.79 143.93 51.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 4' ' ' LYS . . . . . 0.79 ' O ' HG23 ' A' ' 51' ' ' THR . 40.1 ttmt -105.31 110.28 22.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.637 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.503 HG21 HG21 ' B' ' 30' ' ' VAL . 61.5 t -95.28 126.79 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.34 0.591 . . . . 0.0 110.738 179.789 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 68.7 mt -101.91 127.14 55.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.616 -179.935 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.3 mt -106.51 84.91 2.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.343 -179.246 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.557 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.8 m120 -90.68 102.69 15.44 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.158 -179.129 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.61 151.87 17.33 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.542 179.147 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -45.95 -58.1 3.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.894 0.378 . . . . 0.0 111.808 179.688 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 11' ' ' THR . . . . . 0.443 ' HB ' HG11 ' A' ' 29' ' ' VAL . 4.3 p -98.22 -5.86 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.983 -179.047 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 12' ' ' LEU . . . . . 0.944 HD13 ' HB ' ' A' ' 18' ' ' THR . 14.2 tp -134.55 135.45 42.31 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.965 -179.647 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.513 ' H ' HD12 ' B' ' 12' ' ' LEU . 60.3 mttp -145.2 144.94 31.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.689 179.82 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 14' ' ' GLY . . . . . 0.505 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.82 -168.68 39.18 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.099 -1.048 . . . . 0.0 113.353 179.876 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -143.31 141.85 31.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.504 179.852 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.717 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -142.61 169.07 18.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 -179.469 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' B' B ' 17' ' ' THR . . . . . 0.551 HG22 ' HA ' ' B' ' 4' ' ' LYS . 70.6 p -143.57 121.63 12.12 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.072 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 18' ' ' THR . . . . . 0.944 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.8 t -106.09 142.62 35.47 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.825 178.743 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -102.39 114.33 28.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 179.585 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 20' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -149.06 151.05 33.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.283 0.563 . . . . 0.0 112.119 -179.403 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -51.0 -36.85 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.296 -178.723 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.623 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -145.48 171.38 14.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.368 . . . . 0.0 111.282 179.77 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.67 82.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.603 -179.405 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.76 -54.44 39.1 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.464 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 25' ' ' THR . . . . . 0.896 ' O ' HG23 ' B' ' 29' ' ' VAL . 75.4 p -52.77 -45.94 67.34 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.371 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 26' ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -59.79 -53.39 58.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.126 177.9 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 27' ' ' GLU . . . . . 0.439 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 88.9 tt0 -50.63 -48.9 57.91 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.535 178.893 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -58.72 -41.19 85.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.56 179.455 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.896 HG23 ' O ' ' B' ' 25' ' ' THR . 58.1 t -56.45 -39.97 64.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.444 179.605 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.594 HG12 ' CH2' ' A' ' 43' ' ' TRP . 57.8 t -62.83 -47.5 92.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.573 178.72 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.456 ' CE ' ' CZ3' ' A' ' 43' ' ' TRP . 1.2 mptm? -50.85 -47.51 60.26 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.029 0.443 . . . . 0.0 110.556 179.139 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.42 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -64.71 -39.67 94.04 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.828 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' B' B ' 33' ' ' PHE . . . . . 0.803 ' CD2' HD23 ' A' ' 12' ' ' LEU . 29.7 t80 -53.97 -58.79 5.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.401 179.407 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 34' ' ' PHE . . . . . 0.483 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 24.3 m-85 -70.13 -38.36 75.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.862 179.533 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.607 HD22 HG21 ' A' ' 39' ' ' VAL . 11.7 t-20 -51.72 -38.59 55.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.239 0.542 . . . . 0.0 110.083 178.494 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -94.0 -24.54 17.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.463 -179.375 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' B' ' 38' ' ' GLY . 88.2 m-20 -79.14 -46.37 18.12 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.04 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.453 ' HA2' ' CB ' ' A' ' 34' ' ' PHE . . . -7.59 -118.89 0.0 OUTLIER Glycine 0 C--N 1.334 0.418 0 CA-C-N 114.553 -1.203 . . . . 0.0 115.727 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.66 HG12 ' O ' ' B' ' 39' ' ' VAL . 40.7 t -111.86 5.07 8.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -176.936 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -125.32 9.1 7.88 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 122.024 -0.422 . . . . 0.0 111.634 179.934 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.27 179.24 51.78 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.867 -179.649 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -114.82 117.85 31.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.829 0.347 . . . . 0.0 110.782 179.847 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.611 ' CG ' HG22 ' B' ' 54' ' ' VAL . 12.0 m0 -121.58 146.41 46.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.3 p -115.23 142.62 46.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.386 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 45' ' ' TYR . . . . . 0.506 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 9.8 t80 -109.63 144.75 37.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.934 0.397 . . . . 0.0 111.524 -178.939 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.426 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.7 t0 -123.28 82.87 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.598 179.726 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 47' ' ' ASP . . . . . 0.413 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 53.9 m-20 -45.6 -37.85 5.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.745 -179.685 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 48' ' ' ALA . . . . . 0.426 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.0 -32.26 14.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.954 -179.226 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 70.0 p -128.1 13.19 6.71 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.8 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 50' ' ' LYS . . . . . 0.405 ' HB3' ' HZ3' ' B' ' 50' ' ' LYS . 3.1 mtmp? 47.9 37.9 8.2 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.927 0.394 . . . . 0.0 110.941 -179.823 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 51' ' ' THR . . . . . 0.789 HG23 ' O ' ' A' ' 4' ' ' LYS . 94.8 m -121.68 140.76 51.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.33 -179.371 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.506 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.5 m-85 -108.31 145.62 34.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.879 179.507 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -122.25 129.84 52.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.121 0.486 . . . . 0.0 111.253 179.225 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.611 HG22 ' CG ' ' B' ' 43' ' ' TRP . 93.0 t -107.91 110.32 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.247 179.716 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.558 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 17.8 m -102.68 115.55 30.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.885 0.374 . . . . 0.0 111.452 -179.356 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.721 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.68 0.276 . . . . 1.79 110.366 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -126.6 145.79 50.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.43 110.985 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.798 ' O ' HG23 ' B' ' 51' ' ' THR . 62.3 tttp -102.1 108.24 19.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.0 -0.546 . . . . 2.35 110.25 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.707 ' HB ' HG23 ' A' ' 16' ' ' THR . 49.9 t -95.65 131.95 41.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.017 0.437 . . . . 0.31 111.126 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.411 HG13 ' CG2' ' B' ' 51' ' ' THR . 73.6 mt -107.73 118.6 55.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.928 -0.578 . . . . 0.35 110.759 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.482 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 15.5 mt -96.93 82.29 3.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.964 -0.562 . . . . 0.33 109.491 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.642 ' O ' ' HA ' ' B' ' 55' ' ' THR . 34.4 t-20 -94.17 109.56 21.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.46 -0.791 . . . . 2.09 112.379 -178.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.03 -167.04 13.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.57 111.738 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -86.69 -58.12 2.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.045 0.45 . . . . 2.94 110.038 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.478 ' HB ' HG11 ' B' ' 29' ' ' VAL . 7.5 p -94.57 -5.33 46.11 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.735 -0.666 . . . . 0.23 110.688 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.991 HD13 ' HB ' ' B' ' 18' ' ' THR . 22.8 tp -135.68 136.35 40.83 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.119 0.485 . . . . 0.14 111.506 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.469 ' H ' HD12 ' A' ' 12' ' ' LEU . 36.6 mtmm -145.36 145.11 31.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.589 -0.732 . . . . 2.46 110.406 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.477 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -176.9 -172.35 41.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.213 -0.994 . . . . 0.15 113.383 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -142.01 138.65 32.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 1.92 110.442 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.785 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -139.79 168.88 18.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.18 111.258 -179.323 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.511 HG22 ' HA ' ' A' ' 4' ' ' LYS . 60.1 p -143.61 120.02 10.96 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.847 0.684 . . . . 0.16 112.847 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.996 ' HB ' HD13 ' B' ' 12' ' ' LEU . 15.3 t -108.94 147.18 32.63 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.856 -0.611 . . . . 0.15 109.44 178.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -108.73 119.17 38.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.516 0.198 . . . . 2.06 110.686 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.689 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -148.98 149.65 31.52 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.244 0.545 . . . . 0.26 111.87 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 t -50.4 -24.9 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.358 -0.837 . . . . 0.35 111.993 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.559 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -156.76 174.57 15.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.893 0.378 . . . . 1.3 111.42 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.48 91.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.31 111.381 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 -54.97 31.03 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.942 -0.392 . . . . 0.35 109.942 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.867 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.7 p -50.34 -46.3 55.56 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.901 -0.778 . . . . 0.35 108.901 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.758 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -58.41 -53.54 57.15 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.702 -0.681 . . . . 0.26 109.204 178.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -51.98 -45.13 64.34 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 115.911 -0.586 . . . . 1.96 110.446 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -66.01 -49.45 67.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.865 -0.607 . . . . 1.98 110.301 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 25' ' ' THR . 81.9 t -54.01 -41.89 52.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.471 . . . . 0.4 109.913 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 26' ' ' ALA . 57.3 t -63.16 -47.49 92.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.657 -0.702 . . . . 0.36 109.425 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -51.19 -43.17 61.3 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 116.323 -0.399 . . . . 2.12 110.493 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -61.14 -38.51 86.68 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.27 -0.641 . . . . 2.1 109.27 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.858 ' CG ' HD23 ' B' ' 12' ' ' LEU . 37.8 t80 -54.12 -60.84 2.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.248 -0.887 . . . . 0.24 110.195 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -69.06 -40.44 78.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.137 -0.938 . . . . 0.2 110.563 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -51.47 -38.23 52.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.543 0.687 . . . . 0.45 109.83 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.36 -23.91 17.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.8 -1.091 . . . . 1.18 112.453 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.456 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.9 m-20 -80.38 -46.63 15.71 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.418 -0.586 . . . . 0.2 109.418 178.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.66 -118.62 0.0 OUTLIER Glycine 0 C--N 1.333 0.366 0 CA-C-N 114.574 -1.193 . . . . 0.22 115.793 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.9 t -103.25 -2.06 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 114.911 1.449 . . . . 0.86 114.911 -175.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -126.01 17.0 7.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 119.313 0.96 . . . . 1.57 111.692 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.17 167.0 54.08 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.618 -0.801 . . . . 0.49 113.196 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -95.28 99.78 11.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.908 0.385 . . . . 2.19 110.397 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.488 ' CH2' HG12 ' B' ' 30' ' ' VAL . 7.6 m0 -99.25 120.72 40.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.65 112.24 -178.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.2 p -104.8 138.34 41.22 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.272 -0.64 . . . . 0.39 109.272 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -111.04 141.6 44.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.014 0.435 . . . . 0.47 112.036 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.46 81.99 1.96 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.687 -0.688 . . . . 1.24 110.327 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.89 -37.08 13.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 1.17 111.806 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.57 -30.58 8.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.446 -0.343 . . . . 0.56 111.908 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.1 p -128.09 14.21 6.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.717 -0.22 . . . . 0.63 111.508 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm 48.48 35.21 5.6 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.847 0.356 . . . . 2.35 110.375 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.791 HG23 ' O ' ' B' ' 4' ' ' LYS . 98.7 m -122.19 143.26 49.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.146 0.498 . . . . 0.36 112.023 -178.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.7 m-85 -108.77 142.45 39.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.442 -0.799 . . . . 0.55 109.654 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -120.84 101.99 8.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.259 0.552 . . . . 0.37 112.196 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.4 HG12 ' OD1' ' A' ' 37' ' ' ASN . 58.0 t -81.98 109.32 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.326 -0.852 . . . . 0.4 109.219 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.641 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 22.6 m -103.55 117.33 34.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.64 112.12 -178.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.279 -0.867 . . . . 2.34 110.931 179.654 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.422 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 27.8 ttt . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.835 0.35 . . . . 1.68 111.167 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.422 ' N ' ' HG2' ' B' ' 1' ' ' MET . 54.3 tt0 -104.98 140.24 38.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 1.79 110.365 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.401 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 6.5 m-85 -126.54 145.73 50.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.915 0.388 . . . . 0.43 110.98 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.791 ' O ' HG23 ' A' ' 51' ' ' THR . 62.3 tttp -102.01 108.16 19.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.016 -0.538 . . . . 2.35 110.319 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.704 ' HB ' HG23 ' B' ' 16' ' ' THR . 49.4 t -95.59 131.86 41.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.986 0.422 . . . . 0.31 111.157 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.415 HG13 ' CG2' ' A' ' 51' ' ' THR . 73.8 mt -107.68 118.57 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.35 110.859 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 15.5 mt -96.85 82.24 3.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.936 -0.575 . . . . 0.33 109.52 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.641 ' O ' ' HA ' ' A' ' 55' ' ' THR . 34.3 t-20 -94.12 109.55 21.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.485 -0.779 . . . . 2.09 112.362 -178.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.97 -166.96 13.65 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.724 . . . . 0.57 111.73 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -86.69 -58.16 2.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.065 0.459 . . . . 2.94 110.022 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.479 ' HB ' HG11 ' A' ' 29' ' ' VAL . 7.6 p -94.57 -5.4 45.97 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.679 -0.691 . . . . 0.23 110.716 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.996 HD13 ' HB ' ' A' ' 18' ' ' THR . 22.8 tp -135.67 136.28 40.8 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.099 0.476 . . . . 0.14 111.569 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.473 ' H ' HD12 ' B' ' 12' ' ' LEU . 36.6 mtmm -145.34 145.11 31.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.54 -0.754 . . . . 2.46 110.368 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -176.91 -172.34 41.42 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.101 -1.047 . . . . 0.15 113.362 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -142.03 138.71 31.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 1.92 110.456 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.79 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -139.79 168.76 19.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.18 111.272 -179.18 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.509 HG22 ' HA ' ' B' ' 4' ' ' LYS . 60.0 p -143.6 120.08 11.01 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.857 0.688 . . . . 0.16 112.857 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.991 ' HB ' HD13 ' A' ' 12' ' ' LEU . 15.3 t -108.95 147.14 32.7 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.803 -0.635 . . . . 0.15 109.479 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -108.71 119.17 38.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.521 0.201 . . . . 2.06 110.664 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.687 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -148.98 149.62 31.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.188 0.518 . . . . 0.26 111.939 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 t -50.47 -24.88 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.379 -0.828 . . . . 0.35 111.954 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.563 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -156.72 174.7 15.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.879 0.371 . . . . 1.3 111.438 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.401 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -59.39 -42.42 91.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.31 111.371 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.77 -54.99 30.68 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.943 -0.391 . . . . 0.35 109.943 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.871 ' O ' HG23 ' B' ' 29' ' ' VAL . 51.4 p -50.34 -46.25 55.58 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.973 -0.751 . . . . 0.35 108.973 178.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.764 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -58.49 -53.48 57.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.685 -0.689 . . . . 0.26 109.204 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -52.09 -45.0 64.66 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.966 -0.561 . . . . 1.96 110.427 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -66.08 -49.44 67.58 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.927 -0.579 . . . . 1.98 110.251 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.871 HG23 ' O ' ' B' ' 25' ' ' THR . 84.3 t -54.09 -41.85 52.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.078 0.466 . . . . 0.4 109.888 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.764 HG23 ' O ' ' B' ' 26' ' ' ALA . 57.9 t -63.03 -47.59 91.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.722 -0.672 . . . . 0.36 109.481 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -51.14 -43.15 61.14 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 116.26 -0.427 . . . . 2.12 110.496 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -61.15 -38.5 86.66 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.346 -0.613 . . . . 2.1 109.346 178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.846 ' CG ' HD23 ' A' ' 12' ' ' LEU . 37.8 t80 -54.16 -60.88 2.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.218 -0.901 . . . . 0.24 110.166 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -68.94 -40.51 78.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.231 -0.895 . . . . 0.2 110.595 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -51.54 -38.18 52.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.452 0.644 . . . . 0.45 109.818 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.4 -23.84 17.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.823 -1.08 . . . . 1.18 112.414 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.457 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.0 m-20 -80.49 -46.49 15.79 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.414 -0.588 . . . . 0.2 109.414 178.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.74 -118.56 0.0 OUTLIER Glycine 0 C--N 1.332 0.353 0 CA-C-N 114.622 -1.172 . . . . 0.22 115.786 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.602 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.9 t -103.25 -2.14 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 114.82 1.415 . . . . 0.86 114.82 -175.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -125.94 16.89 7.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 119.378 0.99 . . . . 1.57 111.685 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.16 167.04 54.11 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.577 -0.82 . . . . 0.49 113.145 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -95.34 99.83 11.7 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.939 0.399 . . . . 2.19 110.414 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.489 ' CH2' HG12 ' A' ' 30' ' ' VAL . 7.6 m0 -99.34 120.72 40.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.969 -0.559 . . . . 0.65 112.229 -178.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.0 p -104.81 138.44 41.07 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.271 -0.64 . . . . 0.39 109.271 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -111.12 141.66 44.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.037 0.446 . . . . 0.47 111.972 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.49 81.9 1.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.724 -0.671 . . . . 1.24 110.299 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.88 -37.03 13.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.225 -0.443 . . . . 1.17 111.842 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.6 -30.55 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.931 0.345 . . . . 0.56 111.931 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.5 p -128.13 14.28 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.741 -0.209 . . . . 0.63 111.48 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm 48.41 35.15 5.4 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.825 0.345 . . . . 2.35 110.422 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 4' ' ' LYS . 98.8 m -122.16 143.24 49.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.147 0.499 . . . . 0.36 111.986 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' B' ' 52' ' ' PHE . 1.7 m-85 -108.66 142.47 39.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.408 -0.815 . . . . 0.55 109.708 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -120.92 102.07 8.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.269 0.556 . . . . 0.37 112.159 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -82.02 109.35 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.23 -0.895 . . . . 0.4 109.179 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.642 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 22.6 m -103.61 117.34 34.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.437 . . . . 0.64 112.14 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.309 -0.853 . . . . 2.34 110.955 179.715 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.745 0.307 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.452 ' CE2' ' CE ' ' B' ' 50' ' ' LYS . 51.4 m-85 -123.99 140.48 52.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.572 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.798 ' O ' HG23 ' B' ' 51' ' ' THR . 39.9 ttmt -105.4 112.28 25.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.819 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.632 ' HB ' HG23 ' A' ' 16' ' ' THR . 59.8 t -97.39 136.16 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.164 0.507 . . . . 0.0 110.462 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.436 HG13 ' CG2' ' B' ' 51' ' ' THR . 74.6 mt -109.91 125.34 67.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.751 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.452 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.1 mt -103.8 91.12 3.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.14 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.766 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.4 m120 -98.63 106.56 18.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.297 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.437 ' HA2' ' HG3' ' B' ' 56' ' ' GLU . . . -112.1 -171.03 18.58 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.122 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -76.43 -56.08 4.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.991 0.424 . . . . 0.0 110.669 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.581 ' OG1' HG13 ' B' ' 29' ' ' VAL . 8.2 p -107.11 6.55 28.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.18 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.923 HD13 ' HB ' ' B' ' 18' ' ' THR . 24.9 tp -138.06 137.89 38.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.1 0.476 . . . . 0.0 111.28 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.474 ' H ' HD12 ' A' ' 12' ' ' LEU . 7.6 mtpm? -145.0 144.66 31.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.502 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.494 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -174.61 -177.03 43.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 119.984 -1.103 . . . . 0.0 113.266 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -137.94 139.12 39.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.819 0.342 . . . . 0.0 110.377 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.77 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -138.13 166.74 23.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.057 -179.592 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 4' ' ' LYS . 63.8 p -143.8 122.65 12.7 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.941 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.4 t -106.9 140.77 39.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.23 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -99.77 108.93 21.36 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.767 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -143.46 148.58 36.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.24 0.543 . . . . 0.0 111.82 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.8 t -50.63 -26.11 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.02 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.628 ' OD1' HG23 ' A' ' 25' ' ' THR . 59.0 p30 -158.29 175.91 13.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.913 0.387 . . . . 0.0 111.392 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.401 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -57.54 -42.29 82.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.595 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.83 -55.02 34.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.833 ' O ' HG23 ' A' ' 29' ' ' VAL . 41.6 p -52.01 -46.02 64.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.626 ' HB1' ' CG2' ' A' ' 18' ' ' THR . . . -59.71 -55.9 28.59 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.4 ' CG ' ' NZ ' ' A' ' 31' ' ' LYS . 88.8 tt0 -47.93 -49.21 30.91 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.658 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -60.44 -43.64 96.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.519 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 25' ' ' THR . 79.0 t -54.55 -40.54 50.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.512 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.645 HG12 ' CH2' ' B' ' 43' ' ' TRP . 29.4 t -62.46 -46.88 95.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 12.9 mptt -49.11 -50.55 36.64 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.167 178.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -63.81 -39.67 94.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.291 0.567 . . . . 0.0 109.493 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.89 ' CG ' HD23 ' B' ' 12' ' ' LEU . 52.9 t80 -54.0 -57.12 12.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.695 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.459 ' HB3' ' HA2' ' B' ' 38' ' ' GLY . 25.8 m-85 -75.49 -39.05 59.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.491 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -50.39 -37.94 40.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.411 0.624 . . . . 0.0 109.982 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -94.4 -24.99 17.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.052 -0.977 . . . . 0.0 112.739 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 90.1 m-20 -78.61 -46.33 19.54 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -2.72 -120.06 0.0 OUTLIER Glycine 0 C--N 1.332 0.347 0 CA-C-N 114.566 -1.197 . . . . 0.0 115.775 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.6 t -82.66 -55.39 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 -175.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -95.28 28.89 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -177.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.32 145.4 47.43 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 119.995 -1.098 . . . . 0.0 112.287 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -75.03 95.99 3.12 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.54 0.21 . . . . 0.0 110.442 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.644 ' CH2' HG12 ' B' ' 30' ' ' VAL . 7.4 m0 -108.76 131.54 54.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.6 p -106.51 139.24 41.3 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 177.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -111.44 139.47 46.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.004 0.431 . . . . 0.0 111.869 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -123.64 82.02 1.97 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.194 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.31 -36.33 20.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.39 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.82 -31.79 50.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.629 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.4 p -116.53 9.18 14.16 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.45 ' CE ' ' CE2' ' B' ' 3' ' ' TYR . 10.2 mmmm 48.96 36.69 8.81 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.677 0.275 . . . . 0.0 110.645 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.797 HG23 ' O ' ' B' ' 4' ' ' LYS . 95.7 m -133.28 145.67 50.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.207 0.527 . . . . 0.0 111.811 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.2 m-85 -110.05 145.27 37.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.295 178.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -122.39 101.83 7.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.241 0.543 . . . . 0.0 111.821 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.466 HG22 ' CD2' ' A' ' 43' ' ' TRP . 73.4 t -82.98 116.51 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.927 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.755 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 5.8 m -112.57 121.69 45.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.947 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' HG3' ' HA2' ' B' ' 9' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.838 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.503 ' HE3' ' CZ ' ' B' ' 3' ' ' TYR . 35.7 ttp . . . . . 0 N--CA 1.484 1.26 0 CA-C-O 120.785 0.326 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -96.9 131.22 43.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.156 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.503 ' CZ ' ' HE3' ' B' ' 1' ' ' MET . 51.2 m-85 -123.99 140.57 52.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.491 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.797 ' O ' HG23 ' A' ' 51' ' ' THR . 40.0 ttmt -105.42 112.11 25.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.759 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.628 ' HB ' HG23 ' B' ' 16' ' ' THR . 59.9 t -97.3 136.19 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.071 0.462 . . . . 0.0 110.527 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.433 HG13 ' CG2' ' A' ' 51' ' ' THR . 75.0 mt -109.91 125.36 67.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.703 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 8.9 mt -103.82 91.14 3.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.183 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.755 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.4 m120 -98.73 106.65 18.94 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.285 -178.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.425 ' HA2' ' HG3' ' A' ' 56' ' ' GLU . . . -112.24 -171.0 18.48 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.302 -0.952 . . . . 0.0 112.145 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -76.4 -56.19 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.018 0.437 . . . . 0.0 110.551 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.588 ' OG1' HG13 ' A' ' 29' ' ' VAL . 8.1 p -107.09 6.64 29.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.265 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.941 HD13 ' HB ' ' A' ' 18' ' ' THR . 24.8 tp -138.11 137.85 38.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.998 0.427 . . . . 0.0 111.261 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.473 ' H ' HD12 ' B' ' 12' ' ' LEU . 7.6 mtpm? -144.9 144.7 31.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.456 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -174.6 -176.92 43.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.304 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -138.02 139.16 39.47 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.883 0.373 . . . . 0.0 110.339 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.765 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -138.24 166.77 23.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.079 -179.653 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.484 HG22 ' HA ' ' B' ' 4' ' ' LYS . 64.0 p -143.76 122.64 12.72 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.923 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.5 t -106.84 140.85 39.01 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.324 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -99.75 108.94 21.39 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.761 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -143.44 148.68 36.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.138 0.494 . . . . 0.0 111.823 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 t -50.8 -26.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.921 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.635 ' OD1' HG23 ' B' ' 25' ' ' THR . 58.7 p30 -158.29 175.81 13.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.883 0.373 . . . . 0.0 111.376 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.45 -42.3 82.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.628 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.76 -55.2 32.67 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.829 ' O ' HG23 ' B' ' 29' ' ' VAL . 41.4 p -51.93 -46.0 64.51 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.628 ' HB1' ' CG2' ' B' ' 18' ' ' THR . . . -59.65 -56.01 27.3 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.408 ' CG ' ' HZ2' ' B' ' 31' ' ' LYS . 88.7 tt0 -47.87 -49.19 30.31 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.735 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -60.53 -43.56 97.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.57 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.829 HG23 ' O ' ' B' ' 25' ' ' THR . 79.6 t -54.58 -40.5 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.633 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.644 HG12 ' CH2' ' A' ' 43' ' ' TRP . 29.0 t -62.32 -47.11 94.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.564 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.408 ' HZ2' ' CG ' ' B' ' 27' ' ' GLU . 12.9 mptt -48.86 -50.58 34.08 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.318 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -63.89 -39.65 94.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.291 0.567 . . . . 0.0 109.499 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.89 ' CG ' HD23 ' A' ' 12' ' ' LEU . 52.4 t80 -54.01 -57.03 12.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.74 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.46 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 25.8 m-85 -75.68 -38.94 58.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.448 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -50.43 -38.03 41.16 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.384 0.611 . . . . 0.0 109.898 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -94.37 -24.93 17.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.788 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 90.0 m-20 -78.65 -46.43 19.2 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -2.65 -120.06 0.0 OUTLIER Glycine 0 C--N 1.333 0.385 0 CA-C-N 114.688 -1.142 . . . . 0.0 115.778 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.65 -55.38 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 -175.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -95.3 28.84 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -177.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.37 145.42 47.39 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 119.895 -1.145 . . . . 0.0 112.376 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -74.99 95.93 3.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.74 0.305 . . . . 0.0 110.434 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.645 ' CH2' HG12 ' A' ' 30' ' ' VAL . 7.4 m0 -108.73 131.5 54.88 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.5 p -106.43 139.25 41.2 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -111.52 139.47 46.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.998 0.428 . . . . 0.0 111.851 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -123.63 81.89 1.95 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.246 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.12 -36.46 19.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.879 0.371 . . . . 0.0 111.336 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.65 -31.87 49.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.674 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 63.5 p -116.46 9.01 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.452 ' CE ' ' CE2' ' A' ' 3' ' ' TYR . 10.2 mmmm 48.92 36.85 8.97 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.829 0.347 . . . . 0.0 110.685 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 4' ' ' LYS . 95.6 m -133.36 145.62 50.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.124 0.488 . . . . 0.0 111.856 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' B' ' 52' ' ' PHE . 1.3 m-85 -110.07 145.31 37.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.266 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -122.35 101.86 7.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.236 0.541 . . . . 0.0 111.87 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.465 HG22 ' CD2' ' B' ' 43' ' ' TRP . 69.5 t -82.82 116.41 26.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.015 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.766 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 5.7 m -112.51 121.66 45.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.84 0.352 . . . . 0.0 111.011 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.437 ' HG3' ' HA2' ' A' ' 9' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.856 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.786 0.327 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.455 ' CE2' ' HE2' ' B' ' 50' ' ' LYS . 8.0 m-85 -115.36 145.9 42.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.01 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.786 ' O ' HG23 ' B' ' 51' ' ' THR . 87.1 tttt -98.63 107.86 20.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.788 ' HB ' HG23 ' A' ' 16' ' ' THR . 59.4 t -97.65 120.42 46.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' B' ' 53' ' ' THR . 65.3 mt -101.5 117.02 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.81 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.462 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.5 mt -97.72 87.2 3.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.624 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.5 t-20 -98.08 107.49 19.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.125 -177.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.4 -167.8 14.86 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.441 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.443 ' N ' ' HE2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -77.89 -57.05 4.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.891 0.376 . . . . 0.0 110.822 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.523 ' OG1' HG13 ' B' ' 29' ' ' VAL . 7.1 p -106.01 5.55 30.45 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.248 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.988 HD13 ' HB ' ' B' ' 18' ' ' THR . 23.9 tp -136.86 136.99 39.22 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.112 0.482 . . . . 0.0 111.443 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.482 ' H ' HD12 ' A' ' 12' ' ' LEU . 1.8 mppt? -144.45 144.68 31.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.095 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.508 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -176.12 -172.42 40.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.053 -1.07 . . . . 0.0 113.416 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -142.84 134.91 27.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.941 0.401 . . . . 0.0 110.606 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.788 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -136.28 167.67 20.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.142 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.499 ' O ' HD12 ' B' ' 12' ' ' LEU . 61.8 p -143.44 122.27 12.69 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.988 ' HB ' HD13 ' B' ' 12' ' ' LEU . 14.1 t -110.52 147.4 34.21 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.782 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -109.22 120.7 43.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.603 0.239 . . . . 0.0 110.575 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.662 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -149.07 150.29 32.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.161 0.505 . . . . 0.0 111.992 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 t -51.07 -27.11 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.811 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.501 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -154.82 176.28 12.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 111.355 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.408 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -60.23 -43.14 96.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.494 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.61 -56.36 20.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.881 ' O ' HG23 ' A' ' 29' ' ' VAL . 56.0 p -50.15 -46.01 53.7 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.45 -53.72 54.87 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 177.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.436 ' OE1' ' CE3' ' B' ' 43' ' ' TRP . 4.8 tp10 -49.91 -47.83 51.99 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.483 178.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -62.84 -45.03 94.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.278 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 25' ' ' THR . 87.3 t -55.33 -42.43 66.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.262 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.618 HG12 ' CH2' ' B' ' 43' ' ' TRP . 60.8 t -64.68 -48.36 85.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 57.6 mttp -53.38 -44.15 68.4 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.676 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -62.21 -39.1 91.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.47 0.652 . . . . 0.0 109.281 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.915 ' CG ' HD23 ' B' ' 12' ' ' LEU . 56.6 t80 -52.74 -63.31 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.007 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -66.88 -38.12 85.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.625 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.459 ' ND2' HG21 ' B' ' 39' ' ' VAL . 27.4 t-20 -52.41 -38.4 58.96 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.443 0.639 . . . . 0.0 109.919 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.95 -23.75 17.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.175 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.501 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.5 m-20 -81.59 -46.47 14.37 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.254 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.55 -113.97 0.0 OUTLIER Glycine 0 CA--C 1.521 0.466 0 CA-C-N 115.011 -0.995 . . . . 0.0 115.358 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.652 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.5 t -111.09 5.27 8.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -176.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -125.38 10.93 8.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.664 -0.648 . . . . 0.0 112.089 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.51 170.61 53.53 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.577 -0.821 . . . . 0.0 113.425 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -97.65 104.26 16.27 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.616 ' CH2' HG12 ' B' ' 30' ' ' VAL . 9.4 m0 -102.62 123.79 46.99 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.8 p -108.58 138.03 45.56 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 18.3 t80 -114.09 144.55 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.078 0.466 . . . . 0.0 111.973 -178.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.71 83.62 2.16 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.198 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.3 -36.61 21.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.629 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.95 -29.26 8.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.838 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.1 p -128.16 12.05 6.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.611 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HE2' ' CE2' ' B' ' 3' ' ' TYR . 14.2 mmmm 49.31 33.05 4.87 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.843 0.354 . . . . 0.0 110.215 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.788 HG23 ' O ' ' B' ' 4' ' ' LYS . 94.2 m -117.8 144.14 45.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.381 -178.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.508 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.1 m-85 -115.65 141.85 47.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.407 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -118.84 123.64 45.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.108 0.48 . . . . 0.0 111.181 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.9 t -102.77 107.15 21.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.897 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.623 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 17.0 m -99.68 113.19 25.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.932 0.396 . . . . 0.0 111.446 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.828 -179.864 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' B' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.649 0.261 . . . . 0.0 110.4 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.402 ' O ' ' SD ' ' B' ' 1' ' ' MET . 8.3 tt0 -101.27 132.71 46.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.539 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.459 ' CE2' ' HE2' ' A' ' 50' ' ' LYS . 8.2 m-85 -115.45 145.93 42.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.97 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.788 ' O ' HG23 ' A' ' 51' ' ' THR . 87.1 tttt -98.62 107.9 20.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.795 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.793 ' HB ' HG23 ' B' ' 16' ' ' THR . 59.7 t -97.7 120.41 46.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.052 0.453 . . . . 0.0 110.757 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 53' ' ' THR . 65.7 mt -101.34 116.97 45.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.884 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mt -97.74 87.25 3.99 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.623 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.4 t-20 -97.99 107.48 19.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.203 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.39 -167.8 14.87 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.371 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.442 ' N ' ' HE2' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -77.9 -57.05 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.855 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.521 ' OG1' HG13 ' A' ' 29' ' ' VAL . 7.0 p -105.95 5.39 30.44 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.199 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.988 HD13 ' HB ' ' A' ' 18' ' ' THR . 23.9 tp -136.9 136.94 39.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.181 0.515 . . . . 0.0 111.485 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.484 ' H ' HD12 ' B' ' 12' ' ' LEU . 1.9 mppt? -144.35 144.66 31.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.094 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -176.1 -172.31 40.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 119.99 -1.1 . . . . 0.0 113.349 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -142.85 134.91 27.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.653 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.793 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -136.35 167.66 20.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.12 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.504 ' O ' HD12 ' A' ' 12' ' ' LEU . 60.7 p -143.46 122.4 12.77 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.988 ' HB ' HD13 ' A' ' 12' ' ' LEU . 14.0 t -110.49 147.45 34.07 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.819 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -109.25 120.67 43.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.607 0.242 . . . . 0.0 110.582 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.662 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -148.98 150.41 32.81 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.215 0.531 . . . . 0.0 111.979 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 t -51.1 -27.06 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.863 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.499 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -154.88 176.34 12.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 111.361 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.41 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.35 -43.06 96.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.433 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -56.36 20.58 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.879 ' O ' HG23 ' B' ' 29' ' ' VAL . 56.5 p -50.23 -45.91 54.34 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -59.59 -53.67 55.4 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.438 ' OE1' ' CE3' ' A' ' 43' ' ' TRP . 4.8 tp10 -49.9 -47.95 51.87 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.488 178.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -62.59 -45.25 93.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.196 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.879 HG23 ' O ' ' B' ' 25' ' ' THR . 87.7 t -55.23 -42.4 65.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.313 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.616 HG12 ' CH2' ' A' ' 43' ' ' TRP . 60.7 t -64.69 -48.44 84.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.302 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 57.5 mttp -53.41 -44.18 68.52 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.619 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -62.2 -39.17 91.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.916 ' CG ' HD23 ' A' ' 12' ' ' LEU . 56.4 t80 -52.66 -63.29 1.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.139 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -66.82 -38.03 85.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.719 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.46 ' ND2' HG21 ' A' ' 39' ' ' VAL . 27.5 t-20 -52.56 -38.38 59.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.415 0.626 . . . . 0.0 109.91 178.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.9 -23.73 17.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.241 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.5 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.6 m-20 -81.51 -46.49 14.43 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.961 0.41 . . . . 0.0 110.299 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.67 -113.78 0.0 OUTLIER Glycine 0 CA--C 1.521 0.454 0 CA-C-N 115.03 -0.986 . . . . 0.0 115.34 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.64 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.5 t -111.15 5.15 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -176.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -125.3 10.85 8.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.681 -0.637 . . . . 0.0 112.037 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.27 170.51 53.64 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.486 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -97.61 104.27 16.28 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.618 ' CH2' HG12 ' A' ' 30' ' ' VAL . 9.4 m0 -102.77 123.88 47.27 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.756 0.651 . . . . 0.0 112.756 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 75.3 p -108.58 137.91 45.76 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 18.5 t80 -113.96 144.51 42.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.039 0.447 . . . . 0.0 112.117 -178.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.68 83.71 2.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.212 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.4 -36.69 22.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.497 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.89 -29.29 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.908 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 82.5 p -128.16 12.14 6.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.568 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.455 ' HE2' ' CE2' ' A' ' 3' ' ' TYR . 14.2 mmmm 49.25 33.12 4.83 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.852 0.358 . . . . 0.0 110.274 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.786 HG23 ' O ' ' A' ' 4' ' ' LYS . 94.6 m -117.89 144.16 45.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.3 -178.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.507 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 2.1 m-85 -115.59 141.83 47.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.465 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -118.68 123.63 45.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.06 0.457 . . . . 0.0 111.188 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.5 t -102.73 107.06 21.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.963 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.624 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 17.1 m -99.58 113.21 25.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.922 0.391 . . . . 0.0 111.402 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.914 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.754 0.311 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.434 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 5.5 m-85 -125.5 146.07 49.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.51 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.795 ' O ' HG23 ' B' ' 51' ' ' THR . 48.2 tttm -106.85 108.23 19.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.391 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.883 HG21 HG21 ' A' ' 30' ' ' VAL . 57.9 t -94.66 116.78 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.423 0.63 . . . . 0.0 111.197 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.817 HG22 ' OD1' ' A' ' 8' ' ' ASN . 87.9 mt -94.88 131.78 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.809 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.414 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.8 mt -112.43 105.87 14.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.728 -179.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.817 ' OD1' HG22 ' A' ' 6' ' ' ILE . 5.4 m120 -110.98 109.95 20.3 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.402 ' HA2' ' CB ' ' B' ' 56' ' ' GLU . . . -115.43 -168.27 15.45 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.414 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -76.36 -55.72 5.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.914 0.388 . . . . 0.0 110.763 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.615 ' OG1' HG13 ' B' ' 29' ' ' VAL . 7.0 p -108.32 7.44 27.21 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.27 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.976 HD13 ' HB ' ' B' ' 18' ' ' THR . 27.4 tp -139.05 138.07 36.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.158 0.504 . . . . 0.0 111.617 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.461 ' H ' HD12 ' A' ' 12' ' ' LEU . 7.2 mptt -144.86 145.98 31.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.248 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.58 -167.68 37.73 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.213 -0.994 . . . . 0.0 112.91 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.439 ' HB3' ' NZ ' ' A' ' 4' ' ' LYS . 38.7 mt-10 -150.33 146.4 26.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.931 0.396 . . . . 0.0 110.593 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.672 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -141.99 169.89 16.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.964 -179.02 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.468 ' O ' HD12 ' B' ' 12' ' ' LEU . 47.0 p -141.66 119.91 12.22 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -178.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.99 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.5 t -106.9 142.68 36.15 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.998 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -102.05 112.22 24.79 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.625 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -146.02 149.97 35.13 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.427 0.632 . . . . 0.0 112.023 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.99 -27.23 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.125 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.523 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -155.26 176.91 11.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.856 0.36 . . . . 0.0 111.586 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.434 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -60.95 -42.96 99.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.314 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.91 -54.58 40.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.86 ' O ' HG23 ' A' ' 29' ' ' VAL . 60.8 p -52.22 -45.98 65.48 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.479 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.91 -54.85 41.27 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' OE2' ' HG3' ' A' ' 31' ' ' LYS . 3.7 tm-20 -48.29 -49.34 34.15 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.472 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.45 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 4.3 mmmp? -62.31 -43.57 98.52 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.2 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 25' ' ' THR . 88.5 t -55.51 -39.59 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.134 0.492 . . . . 0.0 109.855 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.883 HG21 HG21 ' A' ' 5' ' ' VAL . 61.0 t -65.89 -49.14 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.436 178.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HG3' ' OE2' ' A' ' 27' ' ' GLU . 86.0 mttt -52.37 -43.88 64.94 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.805 178.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -63.82 -38.61 91.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.91 ' CG ' HD23 ' B' ' 12' ' ' LEU . 49.7 t80 -53.56 -61.27 2.41 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.158 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -68.52 -39.35 81.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.96 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.459 ' ND2' HG21 ' B' ' 39' ' ' VAL . 25.7 t-20 -50.86 -38.81 51.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.383 0.611 . . . . 0.0 110.098 178.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -94.49 -23.53 17.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.021 -0.99 . . . . 0.0 112.44 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.471 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.5 m-20 -79.72 -46.28 17.36 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.561 -0.456 . . . . 0.0 109.808 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.06 -116.32 0.0 OUTLIER Glycine 0 C--N 1.333 0.383 0 CA-C-N 114.924 -1.034 . . . . 0.0 115.455 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.7 t -109.56 3.77 9.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -176.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.7 12.68 7.98 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.605 0.639 . . . . 0.0 111.955 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.12 169.5 54.03 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.57 -0.824 . . . . 0.0 113.334 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -93.36 99.59 12.08 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.834 0.35 . . . . 0.0 110.198 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.585 ' CH2' HG12 ' B' ' 30' ' ' VAL . 11.9 m0 -99.67 121.33 41.07 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -178.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.8 p -110.13 137.68 47.54 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.503 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 7.6 t80 -112.64 144.17 42.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 111.727 -178.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.621 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.5 t0 -123.53 83.21 2.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.653 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 15.8 m-20 -46.8 -35.07 5.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.581 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.621 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.94 -31.92 13.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.1 p -128.15 14.5 6.75 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm 48.56 36.29 7.29 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.623 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.794 HG23 ' O ' ' B' ' 4' ' ' LYS . 94.5 m -124.05 140.57 52.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.406 -178.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 28.0 m-85 -108.23 142.09 39.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.536 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -117.22 122.98 45.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.139 0.495 . . . . 0.0 111.338 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.444 HG12 ' OD1' ' A' ' 37' ' ' ASN . 59.9 t -99.33 94.81 3.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.618 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 9.6 m -85.75 108.31 18.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.082 0.468 . . . . 0.0 111.581 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.4 ' CB ' ' HA2' ' B' ' 9' ' ' GLY . 5.2 tp10 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.232 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttp . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.752 0.311 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -101.87 141.01 35.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.391 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.426 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 5.2 m-85 -125.61 146.13 49.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.539 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.794 ' O ' HG23 ' A' ' 51' ' ' THR . 48.2 tttm -106.94 108.17 19.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.305 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.866 HG21 HG21 ' B' ' 30' ' ' VAL . 57.6 t -94.62 116.93 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.335 0.588 . . . . 0.0 111.261 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.81 HG22 ' OD1' ' B' ' 8' ' ' ASN . 87.6 mt -95.05 131.8 40.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.756 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.9 mt -112.42 105.78 14.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.733 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.81 ' OD1' HG22 ' B' ' 6' ' ' ILE . 5.4 m120 -110.99 109.87 20.19 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.4 ' HA2' ' CB ' ' A' ' 56' ' ' GLU . . . -115.37 -168.22 15.46 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.489 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -76.36 -55.78 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 0.0 110.691 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.61 ' OG1' HG13 ' A' ' 29' ' ' VAL . 7.2 p -108.23 7.31 27.33 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.291 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.99 HD13 ' HB ' ' A' ' 18' ' ' THR . 27.5 tp -138.94 138.19 37.11 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.111 0.481 . . . . 0.0 111.719 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.461 ' H ' HD12 ' B' ' 12' ' ' LEU . 7.2 mptt -144.96 145.79 31.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.25 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.48 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.64 -167.64 37.64 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.298 -0.954 . . . . 0.0 112.965 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.435 ' HB3' ' NZ ' ' B' ' 4' ' ' LYS . 38.9 mt-10 -150.33 146.47 26.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.969 0.414 . . . . 0.0 110.568 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.665 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -142.07 169.85 16.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.005 -178.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.471 ' O ' HD12 ' A' ' 12' ' ' LEU . 48.9 p -141.63 119.97 12.28 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.976 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.5 t -106.93 142.55 36.37 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.06 178.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -101.96 112.34 24.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.625 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -145.95 149.99 35.23 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 121.259 0.552 . . . . 0.0 112.061 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -51.07 -27.1 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.111 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.522 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -155.38 176.87 12.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.885 0.374 . . . . 0.0 111.481 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.426 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.88 -42.91 98.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.379 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.96 -54.68 38.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.862 ' O ' HG23 ' B' ' 29' ' ' VAL . 61.8 p -52.22 -45.88 65.44 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.473 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.06 -54.75 42.24 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.434 ' OE2' ' HG3' ' B' ' 31' ' ' LYS . 3.7 tm-20 -48.31 -49.34 34.37 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.427 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.452 ' NZ ' ' HB3' ' B' ' 28' ' ' LYS . 4.2 mmmp? -62.33 -43.66 98.31 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.122 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.862 HG23 ' O ' ' B' ' 25' ' ' THR . 87.4 t -55.49 -39.59 54.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.117 0.484 . . . . 0.0 109.844 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.866 HG21 HG21 ' B' ' 5' ' ' VAL . 59.3 t -65.77 -49.26 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.475 178.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.434 ' HG3' ' OE2' ' B' ' 27' ' ' GLU . 86.0 mttt -52.23 -44.03 64.62 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.745 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -63.79 -38.55 91.51 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.908 ' CG ' HD23 ' A' ' 12' ' ' LEU . 50.1 t80 -53.57 -61.19 2.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.188 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -68.7 -39.25 80.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.946 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.464 ' ND2' HG21 ' A' ' 39' ' ' VAL . 25.7 t-20 -50.81 -39.0 51.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.313 0.578 . . . . 0.0 110.058 178.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -94.28 -23.56 17.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.435 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.473 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.5 m-20 -79.77 -46.26 17.32 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.13 -116.3 0.0 OUTLIER Glycine 0 CA--C 1.52 0.392 0 CA-C-N 114.926 -1.034 . . . . 0.0 115.457 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.627 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.7 t -109.49 3.58 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -176.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.5 12.61 8.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 118.54 0.609 . . . . 0.0 111.95 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.1 169.39 53.99 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.323 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -93.34 99.44 11.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.111 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.584 ' CH2' HG12 ' A' ' 30' ' ' VAL . 11.9 m0 -99.48 121.35 41.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.444 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 68.0 p -110.05 137.72 47.43 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 7.5 t80 -112.74 144.16 42.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.969 0.414 . . . . 0.0 111.67 -178.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.622 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.5 t0 -123.48 83.27 2.11 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.627 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.433 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 15.7 m-20 -46.71 -35.14 5.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.564 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.622 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.96 -31.86 13.58 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.9 p -128.11 14.44 6.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm 48.5 36.36 7.27 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 110.592 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.795 HG23 ' O ' ' A' ' 4' ' ' LYS . 93.7 m -124.02 140.48 52.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.517 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.499 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 27.8 m-85 -108.22 142.08 39.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.509 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -117.16 123.15 46.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.107 0.48 . . . . 0.0 111.314 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.446 HG12 ' OD1' ' B' ' 37' ' ' ASN . 59.9 t -99.46 94.81 3.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.575 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.542 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 9.5 m -85.74 108.23 17.97 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.592 -178.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.402 ' CB ' ' HA2' ' A' ' 9' ' ' GLY . 5.2 tp10 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.226 -0.893 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.962 0.41 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.459 ' CE2' ' HE3' ' B' ' 50' ' ' LYS . 7.2 m-85 -130.95 149.56 52.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.67 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.767 ' O ' HG23 ' B' ' 51' ' ' THR . 17.5 tppt? -98.83 108.52 21.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.652 ' HB ' HG23 ' A' ' 16' ' ' THR . 60.9 t -96.15 128.03 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.905 0.384 . . . . 0.0 110.383 179.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.485 ' CD1' HG21 ' B' ' 51' ' ' THR . 71.8 mt -108.69 127.66 65.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.328 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.415 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.5 mt -107.44 95.55 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.284 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.764 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.3 m120 -103.24 107.95 18.97 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.194 -179.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.82 -169.54 16.89 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.281 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -78.01 -57.4 3.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.038 0.447 . . . . 0.0 110.573 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.472 ' OG1' HG13 ' B' ' 29' ' ' VAL . 4.0 p -104.53 4.33 32.89 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.198 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.963 HD13 ' HB ' ' B' ' 18' ' ' THR . 24.0 tp -137.22 137.14 38.79 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.992 0.425 . . . . 0.0 111.199 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.455 ' H ' HD12 ' A' ' 12' ' ' LEU . 35.8 mtmm -145.19 146.0 31.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.455 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.51 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.87 -169.06 39.75 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.075 -1.059 . . . . 0.0 113.21 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -143.52 153.37 42.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 0.0 110.739 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.747 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -150.95 168.79 23.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.034 -179.601 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.481 ' O ' HD12 ' B' ' 12' ' ' LEU . 74.5 p -143.26 121.19 12.02 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -178.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.972 ' HB ' HD13 ' B' ' 12' ' ' LEU . 14.2 t -107.79 142.65 37.5 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.94 178.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -103.18 115.75 31.18 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.7 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -148.84 151.27 34.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.261 0.553 . . . . 0.0 111.93 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.1 t -50.63 -25.44 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.946 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.659 ' OD1' HG23 ' A' ' 25' ' ' THR . 57.5 p30 -158.71 175.68 13.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.791 0.329 . . . . 0.0 111.505 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.36 -43.0 83.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.754 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.04 -56.13 22.16 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.883 ' O ' HG23 ' A' ' 29' ' ' VAL . 50.2 p -51.07 -45.77 61.52 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.9 -52.74 64.11 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.494 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 44.7 tt0 -52.78 -49.24 65.96 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.785 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -59.43 -43.0 93.19 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.693 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 25' ' ' THR . 98.2 t -56.37 -38.86 57.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.112 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.656 HG12 ' CH2' ' B' ' 43' ' ' TRP . 38.5 t -65.17 -48.44 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.693 179.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.494 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 1.1 mptm? -50.16 -44.79 52.86 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.746 0.308 . . . . 0.0 110.401 178.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -66.44 -39.38 88.85 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.913 ' CG ' HD23 ' B' ' 12' ' ' LEU . 66.3 t80 -53.45 -59.59 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.482 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.439 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 28.8 m-85 -71.23 -39.17 71.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.225 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -51.0 -38.54 51.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.432 0.634 . . . . 0.0 109.799 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.31 -25.7 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.815 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.499 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.6 m-20 -78.74 -45.56 20.89 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -3.67 -117.18 0.0 OUTLIER Glycine 0 CA--C 1.521 0.409 0 CA-C-N 114.575 -1.193 . . . . 0.0 115.719 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.1 t -83.77 -55.51 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 -175.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -91.55 27.24 2.05 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -177.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.69 144.08 46.4 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 119.997 -1.097 . . . . 0.0 112.325 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -73.7 91.74 1.92 Allowed 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.704 ' CD1' HG13 ' A' ' 54' ' ' VAL . 11.8 m0 -106.12 132.21 52.46 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.436 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 70.4 p -112.56 141.97 45.69 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.436 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 6.1 t80 -111.1 142.0 43.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.987 0.422 . . . . 0.0 111.544 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.475 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.3 t0 -123.32 83.21 2.1 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.608 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.42 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 14.0 m-20 -48.22 -37.14 15.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.352 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.475 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.49 -32.26 17.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.952 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.3 p -122.7 12.41 9.89 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HE3' ' HE2' ' B' ' 1' ' ' MET . 7.2 mmmm 49.76 34.94 8.13 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.707 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.763 HG23 ' O ' ' B' ' 4' ' ' LYS . 94.9 m -125.73 144.11 50.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.111 0.482 . . . . 0.0 111.953 -178.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.9 m-85 -110.37 144.52 39.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.502 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.436 ' HG1' ' HG1' ' A' ' 44' ' ' THR . 2.9 p -122.14 124.45 43.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.343 0.592 . . . . 0.0 111.871 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.704 HG13 ' CD1' ' A' ' 43' ' ' TRP . 61.5 t -104.59 113.05 40.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.72 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.755 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 3.2 m -108.61 119.39 39.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.097 0.475 . . . . 0.0 111.512 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.994 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.47 ' HE2' ' HE3' ' A' ' 50' ' ' LYS . 18.1 ttt . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 120.649 0.261 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -111.97 148.71 33.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.984 0.421 . . . . 0.0 111.251 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.465 ' CE2' ' HE3' ' A' ' 50' ' ' LYS . 7.0 m-85 -131.03 149.67 52.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.723 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.763 ' O ' HG23 ' A' ' 51' ' ' THR . 17.5 tppt? -99.0 108.59 21.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.662 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.3 t -96.31 128.07 47.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.987 0.423 . . . . 0.0 110.257 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.485 ' CD1' HG21 ' A' ' 51' ' ' THR . 72.0 mt -108.8 127.64 65.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.264 -179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.5 mt -107.46 95.47 5.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.254 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.755 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.3 m120 -103.17 107.98 19.0 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.201 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.86 -169.5 16.85 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.335 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -78.07 -57.35 3.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.966 0.412 . . . . 0.0 110.582 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.477 ' OG1' HG13 ' A' ' 29' ' ' VAL . 4.0 p -104.58 4.37 32.79 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.242 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.972 HD13 ' HB ' ' A' ' 18' ' ' THR . 24.0 tp -137.28 137.16 38.7 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.126 0.489 . . . . 0.0 111.17 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.458 ' H ' HD12 ' B' ' 12' ' ' LEU . 35.8 mtmm -145.2 145.92 31.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.49 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.78 -169.04 39.77 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.082 -1.056 . . . . 0.0 113.26 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -143.56 153.3 42.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.606 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.746 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -150.88 168.87 23.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.126 -179.69 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.475 ' O ' HD12 ' A' ' 12' ' ' LEU . 75.6 p -143.35 121.14 11.92 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -178.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.963 ' HB ' HD13 ' A' ' 12' ' ' LEU . 14.3 t -107.8 142.64 37.52 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.879 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -103.17 115.79 31.25 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.697 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -148.85 151.19 34.3 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.177 0.513 . . . . 0.0 112.028 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 30.8 t -50.59 -25.52 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.996 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.658 ' OD1' HG23 ' B' ' 25' ' ' THR . 57.6 p30 -158.64 175.7 13.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.815 0.34 . . . . 0.0 111.481 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.34 -42.9 82.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.823 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 -56.09 22.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.883 ' O ' HG23 ' B' ' 29' ' ' VAL . 51.1 p -50.96 -45.95 60.95 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.582 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.74 -52.82 63.84 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.065 -0.716 . . . . 0.0 109.065 178.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.498 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 44.7 tt0 -52.64 -49.34 65.37 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.783 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -59.53 -42.92 93.4 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.883 HG23 ' O ' ' B' ' 25' ' ' THR . 98.0 t -56.42 -38.87 57.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.138 179.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.655 HG12 ' CH2' ' A' ' 43' ' ' TRP . 38.4 t -65.2 -48.35 83.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.688 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.498 ' HD3' ' O ' ' B' ' 27' ' ' GLU . 1.1 mptm? -50.19 -44.8 53.16 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.844 0.354 . . . . 0.0 110.445 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -66.45 -39.3 88.79 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.902 ' CG ' HD23 ' A' ' 12' ' ' LEU . 66.1 t80 -53.49 -59.56 4.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.501 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.44 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 28.7 m-85 -71.3 -39.11 71.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.207 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -50.89 -38.61 50.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.387 0.613 . . . . 0.0 109.896 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.28 -25.67 16.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.825 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.499 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.7 m-20 -78.87 -45.26 21.06 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -3.78 -117.27 0.0 OUTLIER Glycine 0 C--N 1.333 0.404 0 CA-C-N 114.624 -1.171 . . . . 0.0 115.746 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 88.2 t -83.57 -55.6 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 -175.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -91.62 27.22 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.54 144.11 46.68 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.032 -1.08 . . . . 0.0 112.374 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -73.86 91.68 1.99 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.702 ' CD1' HG13 ' B' ' 54' ' ' VAL . 11.9 m0 -106.06 132.21 52.42 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.469 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 72.2 p -112.53 141.85 45.8 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.433 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 6.1 t80 -110.89 142.01 43.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 111.661 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.476 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.3 t0 -123.36 83.18 2.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.661 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.423 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 14.2 m-20 -48.3 -37.02 15.37 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.3 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.476 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.58 -32.22 18.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.008 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.5 p -122.68 12.44 9.91 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.459 ' HE3' ' CE2' ' A' ' 3' ' ' TYR . 7.2 mmmm 49.87 34.86 8.32 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.744 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.767 HG23 ' O ' ' A' ' 4' ' ' LYS . 94.2 m -125.69 143.94 50.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.119 0.485 . . . . 0.0 111.927 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' B' ' 52' ' ' PHE . 1.9 m-85 -110.26 144.44 38.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.638 178.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.469 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 2.9 p -122.11 124.58 44.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.358 0.599 . . . . 0.0 111.723 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.702 HG13 ' CD1' ' B' ' 43' ' ' TRP . 61.1 t -104.6 113.2 40.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.666 178.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.764 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 3.2 m -108.67 119.39 39.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.033 0.444 . . . . 0.0 111.52 -178.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.025 -179.844 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -124.51 146.38 49.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.127 0.489 . . . . 0.0 111.735 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.627 ' O ' HG23 ' B' ' 51' ' ' THR . 17.6 tppt? -98.95 104.87 16.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.565 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.65 HG11 HG11 ' A' ' 30' ' ' VAL . 73.8 t -94.54 112.12 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.448 0.642 . . . . 0.0 110.749 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.838 HG22 ' OD1' ' A' ' 8' ' ' ASN . 68.1 mt -94.83 128.77 45.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.615 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.468 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 15.2 mt -110.02 105.31 14.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.126 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.838 ' OD1' HG22 ' A' ' 6' ' ' ILE . 5.3 m120 -109.27 108.77 19.49 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.413 ' HA2' ' HG2' ' B' ' 56' ' ' GLU . . . -113.42 -171.26 17.76 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.816 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -77.18 -52.47 9.19 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.959 0.409 . . . . 0.0 110.308 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.48 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 7.8 p -108.12 5.24 25.76 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.453 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.974 HD13 ' HB ' ' B' ' 18' ' ' THR . 24.3 tp -137.41 138.33 39.73 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.093 0.473 . . . . 0.0 111.625 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.484 ' H ' HD12 ' A' ' 12' ' ' LEU . 1.9 mppt? -143.9 143.16 31.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.922 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.67 -176.73 44.15 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 119.989 -1.1 . . . . 0.0 113.586 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -139.23 137.1 35.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.826 0.346 . . . . 0.0 110.131 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.726 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -137.12 167.64 21.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.47 HG22 ' HA ' ' A' ' 4' ' ' LYS . 73.2 p -143.69 119.85 10.79 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -178.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.982 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.6 t -107.65 145.24 33.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.529 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -105.86 116.72 32.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.659 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.08 152.29 35.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.312 0.577 . . . . 0.0 111.887 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.2 t -51.22 -37.78 18.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.018 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.451 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 5.8 p-10 -144.35 170.52 15.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.838 0.351 . . . . 0.0 111.594 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.3 -42.05 85.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.126 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.14 -55.95 20.89 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.838 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.0 p -52.82 -43.93 66.32 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.697 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.87 -52.46 64.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -50.49 -47.69 57.11 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.347 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -62.76 -45.65 91.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.069 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 25' ' ' THR . 87.3 t -58.41 -39.77 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.03 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.732 ' CG2' HG21 ' A' ' 18' ' ' THR . 45.6 t -68.18 -50.0 62.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 29.2 mtpp -51.45 -43.19 62.01 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.53 -36.6 76.44 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.928 ' CG ' HD23 ' B' ' 12' ' ' LEU . 49.9 t80 -53.82 -63.43 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.115 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -67.71 -39.73 84.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.702 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.446 ' ND2' HG22 ' B' ' 39' ' ' VAL . 34.6 t-20 -49.79 -39.2 37.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.539 0.685 . . . . 0.0 109.663 178.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -94.62 -24.14 17.32 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.858 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.492 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.1 m-20 -79.28 -43.03 24.47 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.035 0.445 . . . . 0.0 110.515 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.44 -114.76 0.0 OUTLIER Glycine 0 CA--C 1.521 0.435 0 CA-C-N 114.746 -1.116 . . . . 0.0 115.491 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.441 HG22 ' ND2' ' B' ' 35' ' ' ASN . 71.7 t -86.05 -55.18 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 -175.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -87.87 25.09 1.6 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.85 165.31 52.9 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 119.611 -1.281 . . . . 0.0 111.417 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -88.66 93.18 9.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.343 0.572 . . . . 0.0 110.619 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.541 ' CH2' HG12 ' B' ' 30' ' ' VAL . 11.5 m95 -93.97 114.4 26.59 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.2 p -109.34 138.21 46.04 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.514 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 8.7 t80 -113.43 144.01 43.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 111.812 -178.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -123.58 83.84 2.19 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.468 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.415 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 12.6 m-20 -45.68 -35.37 4.12 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.723 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.04 -34.27 20.9 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.1 p -128.2 13.72 6.68 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp 51.69 30.38 6.69 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.881 0.372 . . . . 0.0 110.254 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.623 HG23 ' O ' ' B' ' 4' ' ' LYS . 95.4 m -113.02 148.75 34.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.925 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.514 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 2.7 m-85 -120.04 139.0 53.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.469 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 3.0 p -115.38 123.22 48.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.136 0.493 . . . . 0.0 111.062 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -105.56 106.71 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.677 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.729 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 36.8 m -100.36 116.31 32.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.76 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.409 ' HG2' ' HA2' ' B' ' 9' ' ' GLY . 8.4 pt-20 . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.856 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 88.8 mtp . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 121.049 0.452 . . . . 0.0 111.744 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -102.47 140.51 36.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.34 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -124.61 146.36 49.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.183 0.516 . . . . 0.0 111.564 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.623 ' O ' HG23 ' A' ' 51' ' ' THR . 17.6 tppt? -98.92 104.92 17.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.528 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.651 HG21 HG21 ' B' ' 30' ' ' VAL . 73.0 t -94.53 112.13 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.379 0.609 . . . . 0.0 110.721 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.835 HG22 ' OD1' ' B' ' 8' ' ' ASN . 68.5 mt -94.88 128.76 45.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.683 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 15.2 mt -109.95 105.29 14.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.237 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.835 ' OD1' HG22 ' B' ' 6' ' ' ILE . 5.4 m120 -109.18 108.7 19.44 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.409 ' HA2' ' HG2' ' A' ' 56' ' ' GLU . . . -113.41 -171.25 17.76 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.334 -0.936 . . . . 0.0 111.784 178.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -77.1 -52.6 9.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.952 0.406 . . . . 0.0 110.343 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.482 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 7.8 p -107.97 5.32 26.12 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.518 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.982 HD13 ' HB ' ' A' ' 18' ' ' THR . 24.2 tp -137.45 138.19 39.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.145 0.497 . . . . 0.0 111.714 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.481 ' H ' HD12 ' B' ' 12' ' ' LEU . 1.9 mppt? -143.85 143.08 31.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.93 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.63 -176.74 44.12 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 119.979 -1.105 . . . . 0.0 113.436 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -139.15 137.05 35.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.777 0.322 . . . . 0.0 110.175 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.712 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -137.11 167.62 21.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.473 HG22 ' HA ' ' B' ' 4' ' ' LYS . 73.2 p -143.72 119.94 10.83 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.974 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.7 t -107.7 145.24 33.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.481 178.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -105.95 116.63 32.27 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -148.94 152.18 35.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.289 0.566 . . . . 0.0 112.0 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -51.12 -37.7 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.102 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.447 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 5.7 p-10 -144.45 170.45 16.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.977 0.418 . . . . 0.0 111.522 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.23 -42.04 85.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.227 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.1 -55.87 21.68 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.841 ' O ' HG23 ' B' ' 29' ' ' VAL . 26.5 p -52.96 -43.97 66.78 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.705 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.73 -52.46 65.03 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -50.65 -47.66 58.52 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.281 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -62.66 -45.67 91.75 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.068 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.841 HG23 ' O ' ' B' ' 25' ' ' THR . 86.4 t -58.47 -39.65 75.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.127 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.729 ' CG2' HG21 ' B' ' 18' ' ' THR . 45.7 t -68.21 -50.08 61.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.416 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . 29.2 mtpp -51.5 -43.04 62.1 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.976 0.417 . . . . 0.0 109.988 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.8 -36.41 76.68 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.933 ' CG ' HD23 ' A' ' 12' ' ' LEU . 49.4 t80 -53.95 -63.28 1.2 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.167 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -67.71 -39.59 84.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.746 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.441 ' ND2' HG22 ' A' ' 39' ' ' VAL . 34.8 t-20 -50.06 -39.04 40.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.56 0.695 . . . . 0.0 109.616 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -94.68 -24.17 17.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 114.637 -1.165 . . . . 0.0 112.707 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.487 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.1 m-20 -79.49 -43.06 23.92 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.909 0.385 . . . . 0.0 110.386 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.28 -114.7 0.0 OUTLIER Glycine 0 CA--C 1.523 0.545 0 CA-C-N 114.883 -1.053 . . . . 0.0 115.501 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.446 HG22 ' ND2' ' A' ' 35' ' ' ASN . 72.8 t -86.06 -55.31 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -175.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -87.76 25.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -176.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.78 165.34 52.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 119.757 -1.211 . . . . 0.0 111.302 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -88.93 93.41 9.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.233 0.517 . . . . 0.0 110.673 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.542 ' CH2' HG12 ' A' ' 30' ' ' VAL . 11.3 m95 -94.05 114.31 26.45 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.465 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 59.7 p -109.26 138.19 45.99 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.514 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 8.7 t80 -113.43 143.96 43.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.394 . . . . 0.0 111.842 -178.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -123.5 83.74 2.18 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.524 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.421 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 12.6 m-20 -45.63 -35.31 3.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.769 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.14 -34.22 21.51 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.5 p -128.2 13.66 6.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp 51.68 30.53 6.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.912 0.386 . . . . 0.0 110.157 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 4' ' ' LYS . 95.0 m -113.08 148.78 34.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.878 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.514 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 2.8 m-85 -120.09 138.92 53.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.431 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.0 p -115.3 123.13 47.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.013 0.435 . . . . 0.0 111.125 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.9 t -105.55 106.86 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.65 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.736 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 38.6 m -100.45 116.38 32.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.676 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.413 ' HG2' ' HA2' ' A' ' 9' ' ' GLY . 8.4 pt-20 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.817 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.643 ' CE2' ' NZ ' ' B' ' 50' ' ' LYS . 36.7 m-85 -120.69 142.75 49.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.012 0.434 . . . . 0.0 111.459 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.73 ' O ' HG23 ' B' ' 51' ' ' THR . 22.6 tptm -99.25 103.76 15.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.347 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.586 ' HB ' HG23 ' A' ' 16' ' ' THR . 98.4 t -94.91 123.58 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.331 0.586 . . . . 0.0 111.652 -178.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.417 HG13 ' CG2' ' B' ' 51' ' ' THR . 13.8 mt -102.67 124.86 56.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.547 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.487 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.9 mt -103.15 84.5 2.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.609 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.496 ' O ' ' HA ' ' B' ' 55' ' ' THR . 34.9 t-20 -91.3 106.98 18.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.817 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.43 -167.36 14.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.697 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.544 ' HA ' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -82.43 -58.04 3.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.191 0.519 . . . . 0.0 110.147 179.549 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.461 ' HB ' HG11 ' B' ' 29' ' ' VAL . 3.1 p -100.19 0.23 40.05 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.957 HD13 ' HB ' ' B' ' 18' ' ' THR . 14.3 tp -139.32 138.03 36.33 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.334 0.587 . . . . 0.0 111.641 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.607 ' H ' HD12 ' A' ' 12' ' ' LEU . 27.3 mtpp -145.27 147.41 32.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.322 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.444 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -173.42 -173.26 39.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 119.337 -1.411 . . . . 0.0 114.572 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.592 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 56.0 mm-40 -138.59 126.34 22.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.898 -0.651 . . . . 0.0 110.02 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.82 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -134.34 167.12 21.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.276 -179.511 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.452 HG22 ' HD2' ' A' ' 4' ' ' LYS . 59.2 p -143.42 118.99 10.37 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.938 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.5 t -108.89 144.33 36.94 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.841 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -103.54 115.52 30.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.52 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.639 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -147.51 148.65 31.42 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 121.121 0.486 . . . . 0.0 111.796 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 t -50.88 -28.2 6.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.038 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.54 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -154.48 175.5 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 111.306 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.43 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -60.36 -42.97 96.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.406 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -63.08 -55.12 28.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.868 ' O ' HG23 ' A' ' 29' ' ' VAL . 43.4 p -50.89 -45.51 60.13 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.844 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.18 -52.06 66.91 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.319 178.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -53.3 -45.46 68.96 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.419 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 73.8 mmtt -65.57 -47.53 75.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.316 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 25' ' ' THR . 90.6 t -56.81 -41.36 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.048 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 26' ' ' ALA . 40.8 t -64.61 -46.65 91.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 9.4 mtpm? -49.7 -45.11 48.57 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-O 121.099 0.476 . . . . 0.0 110.064 178.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.43 -36.49 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.229 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.549 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 34.5 t80 -54.5 -62.39 1.69 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.227 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.476 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 23.9 m-85 -68.09 -39.5 82.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.545 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.404 ' ND2' HG21 ' B' ' 39' ' ' VAL . 34.0 t-20 -50.07 -39.44 42.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.595 0.712 . . . . 0.0 109.848 178.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -94.89 -23.02 17.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.715 -1.13 . . . . 0.0 112.614 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.477 ' O ' ' C ' ' A' ' 38' ' ' GLY . 88.0 m-20 -79.98 -46.34 16.83 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.988 0.423 . . . . 0.0 109.958 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.95 -116.54 0.0 OUTLIER Glycine 0 C--N 1.332 0.341 0 CA-C-N 114.755 -1.111 . . . . 0.0 115.402 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 39' ' ' VAL . 39.7 t -106.53 2.65 10.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -176.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -125.28 15.48 8.35 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 118.811 0.732 . . . . 0.0 112.021 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.6 172.92 52.49 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.49 -0.862 . . . . 0.0 113.152 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -98.07 100.68 12.02 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 110.428 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.423 ' HH2' HG12 ' B' ' 30' ' ' VAL . 8.3 m95 -96.46 118.69 33.51 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.1 p -109.21 136.14 49.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.887 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 20.4 t80 -107.34 144.78 33.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.935 0.398 . . . . 0.0 111.936 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.465 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.3 t70 -122.85 81.69 1.9 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.578 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.39 -36.34 9.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.792 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.465 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.66 -33.67 16.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.876 -178.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.4 p -128.28 15.48 6.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.569 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.643 ' NZ ' ' CE2' ' B' ' 3' ' ' TYR . 0.4 OUTLIER 50.87 32.24 7.06 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 -179.605 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.736 HG23 ' O ' ' B' ' 4' ' ' LYS . 97.3 m -107.43 148.26 29.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.237 -178.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.542 ' HD2' HG22 ' B' ' 5' ' ' VAL . 88.8 m-85 -114.87 118.04 32.41 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.869 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -101.99 123.35 45.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.337 0.589 . . . . 0.0 111.477 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.6 t -108.59 105.61 19.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.494 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 18.6 m -98.44 118.15 34.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.987 0.422 . . . . 0.0 111.654 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.105 179.893 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 55.6 ttm . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.939 0.399 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -101.01 139.48 36.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.97 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.643 ' CE2' ' NZ ' ' A' ' 50' ' ' LYS . 36.6 m-85 -120.64 142.68 49.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.05 0.453 . . . . 0.0 111.523 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.736 ' O ' HG23 ' A' ' 51' ' ' THR . 22.5 tptm -99.14 103.66 15.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.351 179.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.583 ' HB ' HG23 ' B' ' 16' ' ' THR . 98.5 t -94.9 123.73 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.366 0.603 . . . . 0.0 111.689 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' PHE . 13.6 mt -102.83 124.85 57.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.44 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.0 mt -103.15 84.51 2.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.522 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.505 ' O ' ' HA ' ' A' ' 55' ' ' THR . 34.7 t-20 -91.23 106.97 18.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.893 -178.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.48 -167.39 14.29 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.677 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.542 ' HA ' ' NZ ' ' B' ' 10' ' ' LYS . 0.0 OUTLIER -82.39 -58.08 3.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.203 0.525 . . . . 0.0 110.156 179.617 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.459 ' HB ' HG11 ' A' ' 29' ' ' VAL . 3.0 p -100.24 0.2 39.87 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.938 HD13 ' HB ' ' A' ' 18' ' ' THR . 14.4 tp -139.19 137.98 36.51 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.219 0.533 . . . . 0.0 111.733 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.604 ' H ' HD12 ' B' ' 12' ' ' LEU . 27.3 mtpp -145.3 147.43 32.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.411 179.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -173.44 -173.25 39.58 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 119.248 -1.453 . . . . 0.0 114.467 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.596 ' HB3' ' HE2' ' B' ' 4' ' ' LYS . 56.0 mm-40 -138.67 126.34 22.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.796 -0.702 . . . . 0.0 109.977 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.821 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -134.33 167.14 21.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.263 -179.485 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.444 HG22 ' HA ' ' B' ' 4' ' ' LYS . 58.6 p -143.46 118.99 10.34 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.957 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.4 t -108.92 144.32 37.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.773 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -103.59 115.59 30.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.477 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -147.57 148.7 31.43 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 121.166 0.508 . . . . 0.0 111.791 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 25.4 t -50.76 -28.31 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.013 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.539 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -154.48 175.46 13.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.882 0.372 . . . . 0.0 111.297 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.36 -42.92 96.77 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.481 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -63.06 -55.19 27.65 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.866 ' O ' HG23 ' B' ' 29' ' ' VAL . 42.9 p -50.93 -45.53 60.51 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.852 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.18 -52.04 67.01 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -53.22 -45.65 68.75 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.419 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' B' ' 24' ' ' ALA . 73.8 mmtt -65.41 -47.64 75.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.331 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.866 HG23 ' O ' ' B' ' 25' ' ' THR . 90.6 t -56.65 -41.39 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.114 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.852 HG23 ' O ' ' B' ' 26' ' ' ALA . 40.9 t -64.6 -46.75 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.458 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 9.4 mtpm? -49.62 -45.1 47.79 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 121.126 0.488 . . . . 0.0 110.129 178.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.44 -36.48 76.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.225 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.548 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 34.4 t80 -54.62 -62.37 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.201 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.476 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 23.9 m-85 -67.9 -39.69 83.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.595 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.411 ' ND2' HG21 ' A' ' 39' ' ' VAL . 33.9 t-20 -50.04 -39.45 41.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.565 0.698 . . . . 0.0 109.865 178.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -94.86 -22.98 17.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.567 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.479 ' O ' ' C ' ' B' ' 38' ' ' GLY . 88.0 m-20 -79.95 -46.31 16.95 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.948 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.93 -116.53 0.0 OUTLIER Glycine 0 C--N 1.332 0.357 0 CA-C-N 114.723 -1.126 . . . . 0.0 115.39 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.652 HG12 ' O ' ' B' ' 39' ' ' VAL . 40.0 t -106.59 2.68 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -176.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -125.19 15.21 8.41 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.548 -0.72 . . . . 0.0 112.009 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.24 173.2 53.07 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.467 -0.873 . . . . 0.0 113.185 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -98.31 100.79 12.1 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.413 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.428 ' HH2' HG12 ' A' ' 30' ' ' VAL . 8.2 m95 -96.59 118.63 33.48 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 59.4 p -109.22 136.07 49.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.884 178.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.522 ' CD1' ' CE1' ' B' ' 52' ' ' PHE . 20.3 t80 -107.35 144.84 33.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.004 0.431 . . . . 0.0 111.829 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.462 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.3 t70 -123.0 81.61 1.89 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.471 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.24 -36.36 8.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.784 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.462 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.62 -33.65 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -178.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.0 p -128.27 15.5 6.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.673 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.643 ' NZ ' ' CE2' ' A' ' 3' ' ' TYR . 0.4 OUTLIER 50.87 32.28 7.09 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.598 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 4' ' ' LYS . 97.3 m -107.39 148.33 29.23 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.188 -178.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.543 ' HD2' HG22 ' A' ' 5' ' ' VAL . 88.4 m-85 -114.94 118.15 32.64 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.845 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -101.86 123.27 45.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.28 0.562 . . . . 0.0 111.479 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.6 t -108.71 105.61 19.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.471 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 18.5 m -98.29 118.16 34.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.871 0.367 . . . . 0.0 111.578 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.948 179.919 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.411 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 63.3 m-85 -125.78 142.03 51.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.89 0.376 . . . . 0.0 110.977 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.848 ' O ' HG23 ' B' ' 51' ' ' THR . 24.8 ttmm -109.77 111.58 23.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.593 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.7 HG21 HG21 ' A' ' 30' ' ' VAL . 51.8 t -94.29 125.09 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.154 0.502 . . . . 0.0 111.008 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.509 ' HB ' HG22 ' B' ' 53' ' ' THR . 75.9 mt -94.92 122.67 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.584 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.443 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.5 mt -102.97 83.67 2.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.331 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.735 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.6 m120 -92.25 106.91 18.82 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.164 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.02 -171.62 18.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.074 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -78.69 -55.13 5.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.872 0.368 . . . . 0.0 110.466 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.573 ' OG1' HG13 ' B' ' 29' ' ' VAL . 7.7 p -105.41 3.33 29.56 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.936 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.964 HD13 ' HB ' ' B' ' 18' ' ' THR . 18.6 tp -137.77 138.61 39.43 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.04 0.448 . . . . 0.0 111.263 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.547 ' H ' HD12 ' A' ' 12' ' ' LEU . 60.7 mttp -145.11 145.08 31.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.23 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.19 -177.2 44.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.031 -1.081 . . . . 0.0 113.482 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -138.9 136.02 35.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.265 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.803 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -134.41 165.65 24.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.069 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.3 p -143.47 119.19 10.48 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.967 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.0 t -107.38 145.64 32.65 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.373 178.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -107.99 118.93 38.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.581 0.229 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.601 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -149.07 152.04 35.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.211 0.529 . . . . 0.0 111.968 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.88 -27.67 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.753 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.465 ' OD1' HG23 ' A' ' 25' ' ' THR . 6.4 p-10 -153.39 174.79 13.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 111.542 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.635 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -59.22 -42.91 92.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.255 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.86 -55.31 31.15 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.794 ' O ' HG23 ' A' ' 29' ' ' VAL . 34.1 p -52.14 -45.19 64.9 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.495 ' HB1' HG23 ' A' ' 18' ' ' THR . . . -60.26 -53.43 57.76 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.42 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 4.8 tp10 -50.3 -50.22 51.29 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.918 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -57.24 -38.84 74.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.994 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 25' ' ' THR . 93.4 t -57.93 -39.74 73.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.7 HG21 HG21 ' A' ' 5' ' ' VAL . 43.1 t -63.96 -48.15 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HD2' ' CZ3' ' B' ' 43' ' ' TRP . 1.0 OUTLIER -46.58 -42.92 16.74 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.675 179.094 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -72.88 -36.46 67.36 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.956 ' CG ' HD23 ' B' ' 12' ' ' LEU . 49.6 t80 -55.75 -57.24 12.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.771 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.47 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 25.1 m-85 -73.39 -40.66 64.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.528 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.587 HD22 HG21 ' B' ' 39' ' ' VAL . 14.4 t-20 -49.84 -37.61 31.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.397 0.618 . . . . 0.0 110.045 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.5 -22.81 18.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.608 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.47 ' O ' ' C ' ' A' ' 38' ' ' GLY . 85.0 m-20 -79.62 -46.87 16.42 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 120.272 -0.571 . . . . 0.0 109.466 178.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.33 -120.66 0.0 OUTLIER Glycine 0 C--N 1.334 0.454 0 CA-C-N 114.967 -1.015 . . . . 0.0 115.621 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 39' ' ' VAL . 27.0 t -111.62 3.8 8.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -176.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -125.16 13.33 8.34 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.836 -0.54 . . . . 0.0 112.003 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.67 176.03 53.41 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.992 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -97.78 101.04 12.45 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.781 0.324 . . . . 0.0 110.138 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CH2' HG12 ' B' ' 30' ' ' VAL . 14.4 m0 -98.52 120.86 39.67 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -178.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.9 p -103.34 134.11 47.28 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.506 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 11.3 t80 -106.35 140.1 39.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.894 0.378 . . . . 0.0 111.511 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.494 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.4 t70 -123.26 81.41 1.88 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.558 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.23 -35.46 12.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.438 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.494 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.92 -31.08 11.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.97 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.4 p -126.97 14.55 7.37 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 48.95 38.48 12.46 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.066 0.46 . . . . 0.0 110.384 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.847 HG23 ' O ' ' B' ' 4' ' ' LYS . 97.4 m -121.58 141.64 50.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.475 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.683 ' O ' HG13 ' B' ' 5' ' ' VAL . 96.4 m-85 -108.91 95.54 5.72 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-O 121.334 0.588 . . . . 0.0 111.879 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.509 HG22 ' HB ' ' B' ' 6' ' ' ILE . 2.5 p -76.59 130.12 37.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.693 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.2 t -122.14 127.53 75.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.385 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.725 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 5.6 m -116.27 124.16 49.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.019 0.438 . . . . 0.0 111.678 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.887 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.475 ' HG3' ' CE1' ' B' ' 3' ' ' TYR . 55.0 tpp . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.986 0.422 . . . . 0.0 111.459 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -101.73 140.21 36.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.829 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.475 ' CE1' ' HG3' ' B' ' 1' ' ' MET . 63.7 m-85 -125.67 142.01 51.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.794 0.33 . . . . 0.0 111.053 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.847 ' O ' HG23 ' A' ' 51' ' ' THR . 24.8 ttmm -109.76 111.57 23.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.562 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.698 HG21 HG21 ' B' ' 30' ' ' VAL . 51.1 t -94.29 125.12 46.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.246 0.546 . . . . 0.0 111.015 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.509 ' HB ' HG22 ' A' ' 53' ' ' THR . 75.6 mt -94.94 122.75 46.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.575 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mt -102.98 83.69 2.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.287 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.725 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.6 m120 -92.26 106.96 18.86 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.092 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.1 -171.65 18.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.96 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -78.64 -55.05 5.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.924 0.392 . . . . 0.0 110.562 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.574 ' OG1' HG13 ' A' ' 29' ' ' VAL . 7.7 p -105.46 3.36 29.46 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.953 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.967 HD13 ' HB ' ' A' ' 18' ' ' THR . 18.9 tp -137.82 138.66 39.41 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.051 0.453 . . . . 0.0 111.252 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.55 ' H ' HD12 ' B' ' 12' ' ' LEU . 60.8 mttp -145.15 145.07 31.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.228 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.13 -177.14 43.99 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 119.98 -1.105 . . . . 0.0 113.475 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -138.87 136.14 35.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.918 0.39 . . . . 0.0 110.239 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.793 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -134.52 165.66 24.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.99 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 69.1 p -143.49 119.18 10.46 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.964 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.0 t -107.39 145.71 32.59 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.368 178.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -108.07 118.96 38.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.663 0.268 . . . . 0.0 110.759 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.599 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -149.1 152.0 35.4 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 121.204 0.526 . . . . 0.0 111.964 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.88 -27.62 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.691 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.464 ' OD1' HG23 ' B' ' 25' ' ' THR . 6.5 p-10 -153.42 174.76 13.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.998 0.428 . . . . 0.0 111.47 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.63 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -59.21 -42.93 92.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.353 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.93 -55.16 32.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.045 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.796 ' O ' HG23 ' B' ' 29' ' ' VAL . 34.2 p -52.18 -45.09 65.01 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 178.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.492 ' HB1' HG23 ' B' ' 18' ' ' THR . . . -60.41 -53.41 57.89 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 178.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.423 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 4.8 tp10 -50.2 -50.28 49.94 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.972 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -57.13 -38.84 74.06 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.066 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.796 HG23 ' O ' ' B' ' 25' ' ' THR . 93.7 t -57.99 -39.7 73.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.698 HG21 HG21 ' B' ' 5' ' ' VAL . 43.0 t -63.94 -48.23 87.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.463 ' HD2' ' CZ3' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -46.67 -42.82 17.01 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.72 179.173 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -72.83 -36.49 67.49 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.956 ' CG ' HD23 ' A' ' 12' ' ' LEU . 49.9 t80 -55.77 -57.26 12.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.792 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.468 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 25.2 m-85 -73.31 -40.69 64.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.629 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.58 HD22 HG21 ' A' ' 39' ' ' VAL . 14.4 t-20 -49.77 -37.63 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.346 0.593 . . . . 0.0 110.027 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.49 -22.8 18.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.08 -0.964 . . . . 0.0 112.551 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 85.0 m-20 -79.73 -46.81 16.37 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.459 178.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.37 -120.65 0.0 OUTLIER Glycine 0 C--N 1.334 0.435 0 CA-C-N 114.986 -1.006 . . . . 0.0 115.562 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' B' ' 39' ' ' VAL . 26.9 t -111.63 3.9 8.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -176.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -125.25 13.22 8.28 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 121.789 -0.569 . . . . 0.0 111.985 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.61 175.98 53.45 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.078 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -97.73 101.03 12.43 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.566 ' CH2' HG12 ' A' ' 30' ' ' VAL . 14.5 m0 -98.49 120.93 39.77 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 66.4 p -103.36 134.1 47.31 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.503 ' CD1' ' CE1' ' B' ' 52' ' ' PHE . 11.1 t80 -106.31 140.11 39.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.382 . . . . 0.0 111.488 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.493 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.4 t70 -123.22 81.41 1.88 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.587 179.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.32 -35.44 12.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.43 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.493 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.98 -30.94 11.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.899 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.9 p -127.02 14.58 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 48.98 38.47 12.54 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.035 0.445 . . . . 0.0 110.437 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.848 HG23 ' O ' ' A' ' 4' ' ' LYS . 99.6 m -121.47 141.65 50.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.516 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.679 ' O ' HG13 ' A' ' 5' ' ' VAL . 96.5 m-85 -108.94 95.5 5.69 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.339 0.59 . . . . 0.0 111.851 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.509 HG22 ' HB ' ' A' ' 6' ' ' ILE . 2.6 p -76.5 130.14 37.52 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.719 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.2 t -122.13 127.49 75.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.491 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.735 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 5.6 m -116.31 124.17 49.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.028 0.442 . . . . 0.0 111.613 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.884 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.824 0.345 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -133.95 151.75 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.6 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.57 ' HA ' HG22 ' A' ' 17' ' ' THR . 39.1 ttpt -101.39 108.3 19.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.392 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.53 ' HB ' HG23 ' A' ' 16' ' ' THR . 67.3 t -94.75 111.82 26.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.42 0.629 . . . . 0.0 110.957 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.819 HG22 ' OD1' ' A' ' 8' ' ' ASN . 69.9 mt -94.68 131.43 41.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.233 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.452 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 14.7 mt -111.24 103.35 11.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.495 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.819 ' OD1' HG22 ' A' ' 6' ' ' ILE . 5.2 m120 -106.99 108.9 20.63 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -178.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.19 -170.74 17.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.919 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 4.0 mptp? -78.0 -54.81 5.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.898 0.38 . . . . 0.0 110.679 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.454 ' OG1' HG13 ' B' ' 29' ' ' VAL . 9.2 p -104.62 4.54 32.86 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.342 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.987 HD13 ' HB ' ' B' ' 18' ' ' THR . 23.6 tp -138.66 138.58 37.92 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.147 0.499 . . . . 0.0 111.65 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.484 ' H ' HD12 ' A' ' 12' ' ' LEU . 1.7 mppt? -144.89 145.41 31.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.049 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.475 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -177.63 -170.77 40.35 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 119.98 -1.105 . . . . 0.0 113.464 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -145.27 140.82 28.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.772 0.32 . . . . 0.0 110.498 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.713 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -141.56 169.32 17.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.573 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.57 HG22 ' HA ' ' A' ' 4' ' ' LYS . 47.4 p -143.19 120.07 11.28 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.987 ' HB ' HD13 ' B' ' 12' ' ' LEU . 15.3 t -107.16 142.56 36.68 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.047 179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -98.19 110.18 22.81 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.678 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -145.73 147.86 32.38 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.137 0.494 . . . . 0.0 111.952 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.0 t -50.89 -28.04 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.987 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.64 ' OD1' HG23 ' A' ' 25' ' ' THR . 58.1 p30 -158.13 177.81 10.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.954 0.407 . . . . 0.0 111.584 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.87 91.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.511 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.43 -55.65 28.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.116 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.861 ' O ' HG23 ' A' ' 29' ' ' VAL . 46.5 p -51.3 -45.54 62.22 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.789 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.11 -53.85 53.7 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.42 ' OE2' ' CE3' ' B' ' 43' ' ' TRP . 40.4 tp10 -48.56 -47.98 39.06 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.33 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -65.5 -48.9 71.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.1 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 25' ' ' THR . 85.2 t -54.91 -42.28 62.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.378 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 26' ' ' ALA . 29.5 t -65.54 -47.92 84.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 64.9 mttm -49.87 -41.92 46.5 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.152 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -63.71 -37.17 86.35 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.935 ' CG ' HD23 ' B' ' 12' ' ' LEU . 39.6 t80 -54.97 -59.08 5.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.181 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -70.84 -40.82 72.16 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.941 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 29.4 t-20 -49.49 -38.55 30.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.492 0.663 . . . . 0.0 109.716 178.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -94.37 -22.81 18.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.717 -1.129 . . . . 0.0 112.491 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.472 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 88.2 m-20 -81.53 -46.84 13.91 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.028 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -8.89 -116.11 0.0 OUTLIER Glycine 0 C--N 1.333 0.367 0 N-CA-C 115.763 1.065 . . . . 0.0 115.763 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.65 HG12 ' O ' ' A' ' 39' ' ' VAL . 32.5 t -110.63 5.02 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -176.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -125.14 11.75 8.23 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.818 -0.551 . . . . 0.0 111.729 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.67 175.9 52.2 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.556 -0.831 . . . . 0.0 113.106 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -98.73 100.83 12.08 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.757 0.313 . . . . 0.0 110.535 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.514 ' HH2' HG12 ' B' ' 30' ' ' VAL . 13.9 m95 -91.32 112.23 24.05 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.1 p -104.46 133.24 49.67 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.426 ' CD2' ' OD1' ' A' ' 47' ' ' ASP . 9.8 t80 -111.9 144.98 40.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.896 0.379 . . . . 0.0 111.442 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -123.17 84.83 2.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.959 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.426 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 22.3 m-20 -48.7 -36.77 16.91 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.378 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.78 -33.4 16.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.013 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.5 p -127.41 15.29 7.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.609 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? 46.46 36.27 3.4 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.182 0.515 . . . . 0.0 110.679 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.682 HG21 HD12 ' B' ' 6' ' ' ILE . 98.6 m -116.59 146.49 42.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.264 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' B' ' 6' ' ' ILE . 61.8 m-85 -110.11 126.93 54.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.07 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 3.0 p -110.6 125.97 53.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.02 0.438 . . . . 0.0 111.206 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.8 t -114.56 115.01 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.064 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.621 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 10.1 m -99.91 113.28 25.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.982 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.419 ' O ' ' HE2' ' B' ' 10' ' ' LYS . 4.3 tm-20 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.042 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.432 ' HE3' ' CZ ' ' B' ' 3' ' ' TYR . 44.0 ttp . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.639 0.257 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -109.85 149.22 30.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.657 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.432 ' CZ ' ' HE3' ' B' ' 1' ' ' MET . 4.7 m-85 -133.85 151.78 51.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.616 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.572 ' HA ' HG22 ' B' ' 17' ' ' THR . 39.0 ttpt -101.44 108.15 19.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 110.428 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.521 ' HB ' HG23 ' B' ' 16' ' ' THR . 67.2 t -94.65 111.92 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 121.405 0.621 . . . . 0.0 111.033 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.827 HG22 ' OD1' ' B' ' 8' ' ' ASN . 70.3 mt -94.7 131.55 41.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.217 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 14.5 mt -111.37 103.49 11.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.463 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.827 ' OD1' HG22 ' B' ' 6' ' ' ILE . 5.2 m120 -107.16 108.8 20.42 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -178.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.1 -170.75 17.11 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.469 -0.872 . . . . 0.0 111.895 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' B' ' 10' ' ' LYS . 4.0 mptp? -78.06 -54.72 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.888 0.375 . . . . 0.0 110.591 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.453 ' OG1' HG13 ' A' ' 29' ' ' VAL . 9.3 p -104.82 4.65 32.39 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.326 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.987 HD13 ' HB ' ' A' ' 18' ' ' THR . 23.3 tp -138.76 138.57 37.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.126 0.489 . . . . 0.0 111.583 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.481 ' H ' HD12 ' B' ' 12' ' ' LEU . 1.7 mppt? -144.94 145.37 31.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.083 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -177.63 -170.8 40.37 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.029 -1.081 . . . . 0.0 113.545 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -145.2 140.83 28.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.754 0.311 . . . . 0.0 110.507 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.711 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -141.55 169.16 18.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.545 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.572 HG22 ' HA ' ' B' ' 4' ' ' LYS . 46.5 p -143.15 120.12 11.34 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.987 ' HB ' HD13 ' A' ' 12' ' ' LEU . 15.3 t -107.08 142.73 36.28 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.029 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -98.3 110.34 22.94 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.675 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -145.76 147.93 32.42 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.168 0.508 . . . . 0.0 111.972 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 37.2 t -50.9 -28.05 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.069 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.645 ' OD1' HG23 ' B' ' 25' ' ' THR . 58.2 p30 -158.12 177.78 10.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.93 0.395 . . . . 0.0 111.623 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.87 91.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.626 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.39 -55.73 28.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.089 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.864 ' O ' HG23 ' B' ' 29' ' ' VAL . 46.8 p -51.22 -45.59 61.98 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.8 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -58.96 -53.95 52.58 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.417 ' OE2' ' CE3' ' A' ' 43' ' ' TRP . 40.5 tp10 -48.52 -48.05 38.58 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.389 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -65.42 -48.88 71.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.104 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.864 HG23 ' O ' ' B' ' 25' ' ' THR . 83.9 t -54.94 -42.31 63.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.281 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.8 HG23 ' O ' ' B' ' 26' ' ' ALA . 29.0 t -65.56 -47.86 84.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 64.9 mttm -49.95 -41.95 47.61 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.14 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -63.54 -37.29 86.74 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.938 ' CG ' HD23 ' A' ' 12' ' ' LEU . 39.3 t80 -54.96 -59.08 5.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.173 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -70.81 -40.87 72.24 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.895 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' B' ' 31' ' ' LYS . 29.4 t-20 -49.45 -38.6 30.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.607 0.717 . . . . 0.0 109.78 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -94.31 -22.78 18.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.704 -1.135 . . . . 0.0 112.539 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.473 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 88.2 m-20 -81.56 -46.89 13.8 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.06 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -8.81 -116.23 0.0 OUTLIER Glycine 0 CA--C 1.519 0.324 0 CA-C-N 114.97 -1.014 . . . . 0.0 115.615 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.645 HG12 ' O ' ' B' ' 39' ' ' VAL . 32.5 t -110.56 5.08 8.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -176.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -125.15 11.6 8.21 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.872 -0.517 . . . . 0.0 111.784 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.6 175.94 52.32 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.596 -0.811 . . . . 0.0 113.111 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -98.81 100.77 12.01 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.774 0.321 . . . . 0.0 110.539 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.506 ' HH2' HG12 ' A' ' 30' ' ' VAL . 13.9 m95 -91.36 112.2 24.01 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 64.1 p -104.46 133.18 49.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.666 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.429 ' CD2' ' OD1' ' B' ' 47' ' ' ASP . 9.9 t80 -111.82 144.96 40.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.984 0.421 . . . . 0.0 111.44 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -123.15 84.96 2.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.869 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.429 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 22.1 m-20 -48.68 -36.77 16.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.495 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.82 -33.48 16.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.997 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 72.1 p -127.39 15.47 7.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? 46.46 36.11 3.3 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.17 0.51 . . . . 0.0 110.7 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.677 HG21 HD12 ' A' ' 6' ' ' ILE . 98.9 m -116.47 146.53 42.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.268 -179.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 6' ' ' ILE . 62.0 m-85 -110.09 126.94 54.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -110.65 125.96 54.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.068 0.461 . . . . 0.0 111.123 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 48.5 t -114.5 115.01 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.099 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.62 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 10.0 m -99.97 113.33 25.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.895 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.423 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 4.3 tm-20 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.383 -0.818 . . . . 0.0 111.058 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.755 0.312 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -127.94 148.16 50.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.82 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.488 ' HB2' ' NZ ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -94.9 135.29 36.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.406 179.617 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.951 ' HB ' HG23 ' A' ' 16' ' ' THR . 47.7 t -122.22 117.43 52.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.172 0.511 . . . . 0.0 111.054 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.601 ' HB ' HG22 ' B' ' 53' ' ' THR . 70.9 mt -98.88 118.7 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.72 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.456 ' CD2' HG12 ' A' ' 5' ' ' VAL . 9.3 mt -101.22 88.47 3.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.909 0.385 . . . . 0.0 110.315 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.578 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.3 m120 -95.55 105.46 17.44 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.319 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.16 -171.14 20.0 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.219 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -73.74 -55.26 6.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.709 0.29 . . . . 0.0 111.134 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.544 ' OG1' HG13 ' B' ' 29' ' ' VAL . 4.7 p -112.85 13.15 19.62 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.193 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.956 HD23 ' CG ' ' B' ' 33' ' ' PHE . 20.9 tp -138.54 138.45 38.0 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.978 0.418 . . . . 0.0 110.922 -179.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.525 ' H ' HD12 ' A' ' 12' ' ' LEU . 35.2 mmtp -141.35 140.13 33.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.492 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -174.11 -176.64 42.68 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 119.929 -1.129 . . . . 0.0 113.45 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.411 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 54.4 mp0 -142.91 140.88 31.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.466 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.951 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -137.89 168.46 19.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.919 -179.81 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.487 ' O ' HD12 ' B' ' 12' ' ' LEU . 81.3 p -143.63 121.26 11.81 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -179.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.944 ' HB ' HD13 ' B' ' 12' ' ' LEU . 10.3 t -105.98 141.01 38.09 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.188 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -100.68 111.92 24.23 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.632 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -147.6 151.2 35.84 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 121.3 0.571 . . . . 0.0 112.082 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.1 t -51.02 -37.12 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.114 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.633 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -144.11 171.12 14.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.802 0.334 . . . . 0.0 111.311 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.529 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -57.5 -42.46 82.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.57 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.84 -54.47 38.36 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.755 ' O ' HG23 ' A' ' 29' ' ' VAL . 74.0 p -52.13 -45.87 65.14 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.632 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.98 -51.79 68.14 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.282 178.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.488 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 44.6 tt0 -53.15 -48.53 67.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.818 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -57.53 -39.64 77.04 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.832 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 25' ' ' THR . 86.9 t -56.88 -39.79 67.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.751 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.486 ' CG1' ' CE2' ' A' ' 34' ' ' PHE . 10.5 t -63.66 -47.23 92.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.599 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.488 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 4.2 mptp? -47.56 -46.42 27.89 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.886 0.374 . . . . 0.0 110.484 178.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -69.38 -38.09 77.86 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.958 ' CG ' HD23 ' B' ' 12' ' ' LEU . 62.9 t80 -55.26 -53.61 53.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.866 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.486 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 22.7 m-85 -76.81 -39.83 50.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.403 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.6 HD22 HG21 ' B' ' 39' ' ' VAL . 14.7 t-20 -50.17 -37.72 36.15 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.389 0.614 . . . . 0.0 110.029 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -94.22 -24.47 17.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.531 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.559 ' OD1' HG12 ' A' ' 54' ' ' VAL . 84.7 m-20 -77.49 -46.46 22.39 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 37' ' ' ASN . . . -4.16 -122.55 0.0 OUTLIER Glycine 0 C--N 1.334 0.425 0 CA-C-N 114.777 -1.101 . . . . 0.0 115.595 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.664 HG12 ' O ' ' A' ' 39' ' ' VAL . 33.3 t -112.04 4.9 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.56 13.4 8.73 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.877 -0.514 . . . . 0.0 112.125 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.17 176.33 53.8 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.508 -0.853 . . . . 0.0 113.016 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -96.9 102.9 14.77 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.472 ' CH2' ' HD2' ' B' ' 31' ' ' LYS . 7.2 m0 -100.36 120.49 40.04 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.422 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 74.7 p -107.16 135.77 48.12 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.515 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 8.5 t80 -111.26 144.44 40.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.962 0.41 . . . . 0.0 111.421 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.452 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.7 t0 -123.27 83.39 2.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.608 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 52.8 m-20 -48.0 -37.31 14.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.424 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.452 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -53.16 -35.12 59.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.042 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.1 p -115.82 10.56 15.35 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.486 ' HB3' ' NZ ' ' A' ' 50' ' ' LYS . 2.8 mmmp? 49.05 34.9 6.15 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.78 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 70.7 m -127.11 146.12 50.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.105 0.479 . . . . 0.0 111.871 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.527 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 1.9 m-85 -109.84 141.15 42.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.828 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.608 HG22 ' HB ' ' B' ' 6' ' ' ILE . 2.8 p -120.45 128.26 53.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.264 0.554 . . . . 0.0 111.939 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.559 HG12 ' OD1' ' A' ' 37' ' ' ASN . 48.0 t -108.05 108.95 26.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.109 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.578 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 2.9 m -99.88 112.3 24.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.987 0.422 . . . . 0.0 111.378 -178.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.932 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.469 ' HE2' ' CE ' ' A' ' 50' ' ' LYS . 18.3 ttt . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.717 0.294 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -106.58 141.29 38.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.335 . . . . 0.0 111.132 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -128.0 148.18 50.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.484 ' NZ ' ' HB2' ' B' ' 4' ' ' LYS . 0.1 OUTLIER -95.01 135.36 36.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.303 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.952 ' HB ' HG23 ' B' ' 16' ' ' THR . 47.6 t -122.25 117.4 52.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.136 0.493 . . . . 0.0 111.044 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.608 ' HB ' HG22 ' A' ' 53' ' ' THR . 70.9 mt -98.89 118.63 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.777 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.45 ' CD2' HG12 ' B' ' 5' ' ' VAL . 9.3 mt -101.15 88.5 3.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.935 0.398 . . . . 0.0 110.371 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.578 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.3 m120 -95.62 105.46 17.45 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.344 -179.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.25 -171.16 19.94 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.21 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -73.54 -55.41 6.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.689 0.281 . . . . 0.0 111.185 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.546 ' OG1' HG13 ' A' ' 29' ' ' VAL . 4.8 p -112.72 12.97 19.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.189 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.958 HD23 ' CG ' ' A' ' 33' ' ' PHE . 20.9 tp -138.45 138.34 38.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.998 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.523 ' H ' HD12 ' B' ' 12' ' ' LEU . 35.2 mmtp -141.19 140.2 33.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.128 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -174.09 -176.73 42.73 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.011 -1.09 . . . . 0.0 113.446 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 54.6 mp0 -142.92 141.05 31.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.95 0.405 . . . . 0.0 110.421 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.952 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -138.0 168.51 19.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.949 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.488 ' O ' HD12 ' A' ' 12' ' ' LEU . 79.2 p -143.77 121.18 11.66 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.939 ' HB ' HD13 ' A' ' 12' ' ' LEU . 10.1 t -106.01 141.07 38.02 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.133 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -100.67 111.79 24.08 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.632 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -147.52 151.25 36.04 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.284 0.564 . . . . 0.0 112.121 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.2 t -51.09 -37.05 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.006 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.634 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -144.24 171.05 14.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.871 0.367 . . . . 0.0 111.267 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.527 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -57.48 -42.38 82.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.648 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.85 -54.36 39.92 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.756 ' O ' HG23 ' B' ' 29' ' ' VAL . 75.2 p -52.24 -45.72 65.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.632 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -60.03 -51.85 67.87 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.206 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.483 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 44.6 tt0 -53.14 -48.55 67.82 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.872 179.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -57.52 -39.6 76.91 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.829 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.756 HG23 ' O ' ' B' ' 25' ' ' THR . 87.1 t -56.85 -39.9 67.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.695 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.488 ' CG1' ' CE2' ' B' ' 34' ' ' PHE . 10.5 t -63.65 -47.36 91.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.483 ' HD3' ' O ' ' B' ' 27' ' ' GLU . 4.1 mptp? -47.48 -46.45 27.04 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.921 0.391 . . . . 0.0 110.557 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -69.28 -38.2 78.24 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.956 ' CG ' HD23 ' A' ' 12' ' ' LEU . 62.8 t80 -55.19 -53.64 53.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.877 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.488 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 22.8 m-85 -76.66 -39.95 50.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.365 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.595 HD22 HG21 ' A' ' 39' ' ' VAL . 14.6 t-20 -50.19 -37.72 36.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.446 0.641 . . . . 0.0 110.056 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -94.25 -24.46 17.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.133 -0.94 . . . . 0.0 112.501 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.561 ' OD1' HG12 ' B' ' 54' ' ' VAL . 84.7 m-20 -77.49 -46.35 22.74 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' B' ' 37' ' ' ASN . . . -4.21 -122.57 0.0 OUTLIER Glycine 0 C--N 1.333 0.415 0 CA-C-N 114.678 -1.147 . . . . 0.0 115.587 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.667 HG12 ' O ' ' B' ' 39' ' ' VAL . 34.1 t -112.0 4.89 8.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -176.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.54 13.41 8.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.841 -0.537 . . . . 0.0 112.067 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.27 176.3 53.73 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.997 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -96.78 102.89 14.76 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.471 ' CZ3' ' HB ' ' A' ' 30' ' ' VAL . 7.1 m0 -100.26 120.43 39.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.462 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 75.0 p -107.23 135.65 48.4 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.513 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 8.4 t80 -111.15 144.36 40.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.939 0.399 . . . . 0.0 111.425 -178.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.451 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.6 t0 -123.2 83.34 2.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.75 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 53.2 m-20 -47.88 -37.52 14.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.338 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.451 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -53.1 -35.01 59.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.022 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.4 p -115.92 10.64 15.26 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.483 ' NZ ' ' HB3' ' B' ' 50' ' ' LYS . 2.8 mmmp? 48.96 34.95 5.99 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.837 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 70.0 m -127.14 145.99 50.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.075 0.464 . . . . 0.0 111.917 -178.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.529 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 1.9 m-85 -109.77 141.2 42.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.886 179.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.601 HG22 ' HB ' ' A' ' 6' ' ' ILE . 2.7 p -120.5 128.26 52.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.322 0.582 . . . . 0.0 111.911 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.561 HG12 ' OD1' ' B' ' 37' ' ' ASN . 47.9 t -107.89 108.97 26.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.139 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.578 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 2.9 m -99.95 112.19 24.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.019 0.438 . . . . 0.0 111.457 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.974 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 17' ' ' THR . 21.2 m-85 -125.91 143.68 50.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.706 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.807 ' O ' HG23 ' B' ' 51' ' ' THR . 6.8 ttpm? -105.83 108.47 20.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.206 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.804 ' HB ' HG23 ' A' ' 16' ' ' THR . 52.0 t -94.8 132.03 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.278 0.561 . . . . 0.0 111.374 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.44 HG13 ' CG2' ' B' ' 51' ' ' THR . 67.2 mt -101.25 116.22 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.512 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.449 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.2 mt -94.85 89.85 5.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.535 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.587 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.6 t-20 -98.23 105.48 17.63 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.913 -178.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.512 ' HA2' ' OE1' ' B' ' 56' ' ' GLU . . . -113.98 -166.63 15.96 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.033 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.478 ' HG2' ' HG3' ' B' ' 56' ' ' GLU . 28.3 mmmt -72.0 -57.08 4.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.327 . . . . 0.0 111.326 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.641 ' OG1' HG13 ' B' ' 29' ' ' VAL . 3.9 p -114.73 15.0 17.61 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.964 HD13 ' HB ' ' B' ' 18' ' ' THR . 33.1 tp -139.54 139.22 36.82 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.127 0.489 . . . . 0.0 111.342 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.465 ' H ' HD12 ' A' ' 12' ' ' LEU . 66.4 mttm -145.28 144.61 30.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.208 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.539 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.04 -169.75 39.34 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.059 -1.067 . . . . 0.0 113.542 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -145.36 136.7 25.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.032 0.444 . . . . 0.0 110.749 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.804 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -131.54 168.17 18.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.904 -179.766 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.485 ' O ' HD12 ' B' ' 12' ' ' LEU . 66.9 p -143.44 118.47 10.05 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.986 ' HB ' HD13 ' B' ' 12' ' ' LEU . 10.3 t -107.44 143.57 35.6 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.349 178.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -106.71 112.65 25.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.645 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -143.22 153.16 42.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.372 0.606 . . . . 0.0 112.001 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -50.79 -26.0 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.806 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.546 ' OD1' HG23 ' A' ' 25' ' ' THR . 7.9 p-10 -157.97 174.95 14.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.007 0.432 . . . . 0.0 111.635 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -58.21 -42.0 85.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.323 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -62.52 -54.11 44.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.174 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.831 ' O ' HG23 ' A' ' 29' ' ' VAL . 33.3 p -52.4 -44.68 65.51 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.466 ' HB1' ' CG2' ' A' ' 18' ' ' THR . . . -60.26 -53.15 61.08 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -51.09 -48.5 61.65 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.773 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -61.57 -44.26 97.36 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.108 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 25' ' ' THR . 78.7 t -55.47 -44.57 76.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.654 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.741 HG21 HG21 ' A' ' 5' ' ' VAL . 90.7 t -65.06 -47.54 87.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.446 ' HA ' ' CH2' ' B' ' 43' ' ' TRP . 90.7 mttt -48.34 -49.0 36.02 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.591 179.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.424 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 7.2 tt0 -66.7 -35.81 81.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.512 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.948 ' CG ' HD23 ' B' ' 12' ' ' LEU . 69.8 t80 -52.59 -51.46 59.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.999 178.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.433 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 26.3 m-85 -77.34 -37.21 52.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.305 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.562 ' ND2' HG22 ' B' ' 39' ' ' VAL . 27.7 t-20 -49.92 -39.78 41.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.629 0.728 . . . . 0.0 109.81 178.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.71 -24.34 17.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.722 -1.126 . . . . 0.0 112.863 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 88.8 m-20 -78.22 -46.14 21.2 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -3.61 -119.53 0.0 OUTLIER Glycine 0 CA--C 1.521 0.427 0 CA-C-N 114.415 -1.266 . . . . 0.0 116.156 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.557 HG22 ' ND2' ' B' ' 35' ' ' ASN . 58.7 t -85.52 -55.23 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 -175.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -92.2 29.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -176.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.64 161.76 54.26 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 119.887 -1.149 . . . . 0.0 112.057 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -87.53 99.17 11.83 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.86 0.33 . . . . 0.0 110.11 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.612 ' CH2' HG12 ' B' ' 30' ' ' VAL . 8.4 m0 -100.91 118.95 37.97 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.9 p -110.65 137.81 47.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.51 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 8.4 t80 -114.62 144.8 42.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.726 0.298 . . . . 0.0 111.526 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.655 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.1 t70 -123.52 84.34 2.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.59 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 17.9 m-20 -47.93 -34.05 8.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.33 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.655 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.91 -34.09 19.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.22 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.4 p -125.25 16.0 8.37 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 50' ' ' LYS . 8.3 mmmt 48.95 35.41 6.69 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.702 0.287 . . . . 0.0 110.613 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.805 HG23 ' O ' ' B' ' 4' ' ' LYS . 95.8 m -125.23 142.01 51.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.007 0.432 . . . . 0.0 111.845 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.51 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 6.8 m-85 -107.7 138.99 42.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.352 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -116.24 125.77 52.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.204 0.526 . . . . 0.0 111.025 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.1 t -113.89 119.22 60.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.143 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.588 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 8.9 m -100.45 110.15 22.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.42 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.507 ' OE1' ' HA2' ' B' ' 9' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.204 -0.903 . . . . 0.0 112.299 -178.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.8 mmm . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 121.049 0.452 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -105.83 144.83 32.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.158 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' B' ' 17' ' ' THR . 21.3 m-85 -125.8 143.73 50.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.756 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.805 ' O ' HG23 ' A' ' 51' ' ' THR . 6.8 ttpm? -105.72 108.57 20.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.109 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.81 ' HB ' HG23 ' B' ' 16' ' ' THR . 51.2 t -94.84 131.96 40.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.335 0.588 . . . . 0.0 111.421 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.444 HG13 ' CG2' ' A' ' 51' ' ' THR . 67.1 mt -101.1 116.12 44.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.433 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.2 mt -94.89 89.84 5.79 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.588 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.7 t-20 -98.19 105.49 17.64 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.988 -178.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.507 ' HA2' ' OE1' ' A' ' 56' ' ' GLU . . . -113.89 -166.73 16.06 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.437 -0.887 . . . . 0.0 113.005 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.469 ' HG2' ' HG3' ' A' ' 56' ' ' GLU . 28.3 mmmt -71.97 -57.06 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 111.298 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.633 ' OG1' HG13 ' A' ' 29' ' ' VAL . 3.8 p -114.74 15.06 17.58 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.154 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.986 HD13 ' HB ' ' A' ' 18' ' ' THR . 32.7 tp -139.53 139.22 36.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.125 0.488 . . . . 0.0 111.262 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.463 ' H ' HD12 ' B' ' 12' ' ' LEU . 66.4 mttm -145.27 144.53 30.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.223 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.543 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.04 -169.8 39.4 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 119.971 -1.109 . . . . 0.0 113.398 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -145.34 136.76 25.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.047 0.451 . . . . 0.0 110.64 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.81 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.1 OUTLIER -131.57 168.19 18.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.008 -179.844 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.489 ' O ' HD12 ' A' ' 12' ' ' LEU . 66.5 p -143.44 118.48 10.05 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.964 ' HB ' HD13 ' A' ' 12' ' ' LEU . 10.4 t -107.44 143.54 35.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.303 178.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -106.68 112.8 25.94 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.642 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -143.4 153.08 42.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.216 0.531 . . . . 0.0 112.025 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -50.79 -25.97 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.814 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.538 ' OD1' HG23 ' B' ' 25' ' ' THR . 7.9 p-10 -157.93 174.86 14.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 111.649 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.427 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -58.1 -42.11 84.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.364 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.49 -54.04 45.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.189 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.834 ' O ' HG23 ' B' ' 29' ' ' VAL . 32.8 p -52.55 -44.69 65.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.465 ' HB1' ' CG2' ' B' ' 18' ' ' THR . . . -60.1 -53.29 59.49 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -51.0 -48.6 61.32 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.797 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -61.34 -44.45 97.18 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.029 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.834 HG23 ' O ' ' B' ' 25' ' ' THR . 78.2 t -55.4 -44.55 76.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.65 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.742 HG21 HG21 ' B' ' 5' ' ' VAL . 90.7 t -65.23 -47.44 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.445 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . 90.7 mttt -48.33 -49.02 35.8 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 120.955 0.407 . . . . 0.0 110.601 179.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.424 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 7.2 tt0 -66.63 -35.82 81.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.56 179.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.949 ' CG ' HD23 ' A' ' 12' ' ' LEU . 70.2 t80 -52.58 -51.55 59.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.905 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.432 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 26.3 m-85 -77.39 -37.03 52.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.361 178.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.557 ' ND2' HG22 ' A' ' 39' ' ' VAL . 27.7 t-20 -50.06 -39.78 43.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.559 0.695 . . . . 0.0 109.804 178.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.66 -24.25 17.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.955 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 88.8 m-20 -78.3 -46.16 20.86 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -3.77 -119.47 0.0 OUTLIER Glycine 0 CA--C 1.521 0.429 0 CA-C-N 114.475 -1.238 . . . . 0.0 116.086 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.562 HG22 ' ND2' ' A' ' 35' ' ' ASN . 59.0 t -85.53 -55.16 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -175.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -92.22 29.33 1.68 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -176.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.65 161.71 54.25 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 119.973 -1.108 . . . . 0.0 112.063 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -87.53 99.29 11.93 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.614 ' CH2' HG12 ' A' ' 30' ' ' VAL . 8.4 m0 -101.04 119.08 38.22 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -177.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 74.3 p -110.81 137.73 48.09 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.512 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 8.4 t80 -114.61 144.73 42.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 0.0 111.494 -178.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.655 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.2 t70 -123.49 84.38 2.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.434 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 17.6 m-20 -47.88 -33.96 8.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.376 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.655 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.11 -34.1 20.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.05 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 75.5 p -125.26 16.19 8.37 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' B' ' 50' ' ' LYS . 8.2 mmmt 48.79 35.55 6.63 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.734 0.302 . . . . 0.0 110.633 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.807 HG23 ' O ' ' A' ' 4' ' ' LYS . 96.1 m -125.28 142.0 51.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.084 0.468 . . . . 0.0 111.708 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.512 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 6.6 m-85 -107.63 139.15 42.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.392 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -116.24 125.72 52.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.198 0.523 . . . . 0.0 111.012 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.5 t -113.89 119.25 60.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.149 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.587 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 8.7 m -100.43 110.12 22.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.526 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.512 ' OE1' ' HA2' ' A' ' 9' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.142 -0.933 . . . . 0.0 112.268 -178.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 . . . . . 0 N--CA 1.456 -0.164 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -130.48 147.51 52.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.696 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.507 ' O ' HG23 ' B' ' 51' ' ' THR . 7.1 ttpm? -104.29 112.43 25.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.755 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.606 ' HB ' HG23 ' A' ' 16' ' ' THR . 68.0 t -95.68 131.51 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.18 0.514 . . . . 0.0 110.024 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.705 HG22 ' OD1' ' A' ' 8' ' ' ASN . 57.8 mt -109.82 128.58 65.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.686 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.48 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 13.6 mt -107.64 96.05 6.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.733 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.712 ' O ' ' HA ' ' B' ' 55' ' ' THR . 3.3 m120 -105.75 111.1 23.63 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.932 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.08 -166.04 13.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.739 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -83.72 -55.97 3.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.029 0.442 . . . . 0.0 110.09 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.3 p -100.66 -2.66 32.1 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.242 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.989 HD13 ' HB ' ' B' ' 18' ' ' THR . 20.5 tp -136.84 135.55 38.0 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.053 0.454 . . . . 0.0 111.406 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.461 ' H ' HD12 ' A' ' 12' ' ' LEU . 50.3 mtmt -145.57 147.84 32.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.493 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.53 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.99 -170.76 42.05 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.007 -1.092 . . . . 0.0 113.537 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 51.4 mp0 -138.9 150.06 45.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.734 0.302 . . . . 0.0 110.522 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.743 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -151.18 169.01 22.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 -179.514 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 4' ' ' LYS . 64.3 p -143.59 122.28 12.59 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.988 ' HB ' HD13 ' B' ' 12' ' ' LEU . 14.9 t -111.37 146.06 37.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.918 178.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -107.06 117.83 35.09 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.703 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -148.4 150.49 33.62 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.126 0.488 . . . . 0.0 111.855 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.7 t -50.84 -24.49 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.952 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.428 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -160.33 176.3 11.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.838 0.351 . . . . 0.0 111.605 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.34 -41.81 90.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.51 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.22 -53.12 58.07 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.836 ' O ' HG23 ' A' ' 29' ' ' VAL . 59.1 p -53.23 -46.18 69.03 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.834 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -58.16 -51.86 67.96 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 2.7 tm-20 -53.03 -46.8 68.61 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.378 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -64.55 -49.57 70.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.409 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 25' ' ' THR . 67.3 t -54.59 -41.34 54.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.865 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 26' ' ' ALA . 65.3 t -62.02 -45.91 97.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.482 178.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 10.9 mmtm -49.41 -49.02 46.67 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.06 0.457 . . . . 0.0 110.147 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.401 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 3.5 tp-100 -59.27 -39.7 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.197 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.862 ' CG ' HD23 ' B' ' 12' ' ' LEU . 40.2 t80 -51.82 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.972 179.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 28.1 m-85 -67.81 -38.86 83.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.019 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.575 HD22 HG22 ' B' ' 39' ' ' VAL . 25.4 t-20 -50.53 -37.96 42.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.471 0.653 . . . . 0.0 109.731 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.22 -23.88 17.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.31 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.441 ' O ' ' HA3' ' A' ' 41' ' ' GLY . 85.3 m-20 -82.22 -43.47 17.59 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.914 0.387 . . . . 0.0 110.237 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.452 ' HA2' ' CB ' ' B' ' 34' ' ' PHE . . . -13.91 -114.19 0.0 OUTLIER Glycine 0 CA--C 1.519 0.308 0 N-CA-C 116.663 1.425 . . . . 0.0 116.663 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.565 HG22 HD22 ' B' ' 35' ' ' ASN . 98.3 t -77.54 -55.52 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -176.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.35 24.92 3.63 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' A' ' 37' ' ' ASN . . . -63.31 141.95 46.67 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.124 -1.036 . . . . 0.0 112.256 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -87.79 103.16 15.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.7 0.286 . . . . 0.0 110.281 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.809 ' CD1' HG13 ' A' ' 54' ' ' VAL . 3.7 m0 -120.81 148.83 43.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.056 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.5 p -118.05 146.96 43.7 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 10.0 t80 -111.6 142.83 43.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.378 . . . . 0.0 111.716 -179.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -123.02 85.54 2.44 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.63 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.422 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 12.2 m-20 -46.61 -38.79 10.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.748 -179.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.89 -32.53 14.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.147 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.7 p -128.4 12.75 6.51 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 mttp 49.14 34.32 5.82 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.89 0.376 . . . . 0.0 110.545 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.509 HG23 ' O ' ' B' ' 4' ' ' LYS . 86.6 m -118.24 141.64 48.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.527 -179.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.1 m-85 -113.36 147.5 37.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.112 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -122.58 128.61 50.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.982 0.42 . . . . 0.0 110.998 178.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.809 HG13 ' CD1' ' A' ' 43' ' ' TRP . 67.9 t -104.07 104.46 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.325 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.711 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 25.0 m -100.68 118.14 36.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.406 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.913 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.865 0.364 . . . . 0.0 111.47 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -108.79 146.17 34.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.165 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -130.41 147.57 52.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.663 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.509 ' O ' HG23 ' A' ' 51' ' ' THR . 7.1 ttpm? -104.34 112.36 25.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.727 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.612 ' HB ' HG23 ' B' ' 16' ' ' THR . 67.5 t -95.57 131.58 41.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.156 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.701 HG22 ' OD1' ' B' ' 8' ' ' ASN . 57.9 mt -109.82 128.51 65.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.644 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 13.6 mt -107.61 96.21 6.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.68 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.711 ' O ' ' HA ' ' A' ' 55' ' ' THR . 3.3 m120 -105.88 111.04 23.54 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.931 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.06 -166.01 13.32 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.833 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -83.76 -55.79 4.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.136 0.493 . . . . 0.0 110.19 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 10.4 p -100.74 -2.7 31.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.316 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.988 HD13 ' HB ' ' A' ' 18' ' ' THR . 20.4 tp -136.83 135.6 38.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.064 0.459 . . . . 0.0 111.352 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.463 ' H ' HD12 ' B' ' 12' ' ' LEU . 50.5 mtmt -145.58 147.86 32.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.421 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.532 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.96 -170.82 42.15 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.064 -1.065 . . . . 0.0 113.625 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 51.4 mp0 -138.84 150.02 45.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.806 0.336 . . . . 0.0 110.541 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.748 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -151.09 169.09 22.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.919 -179.55 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.499 HG22 ' HA ' ' B' ' 4' ' ' LYS . 64.7 p -143.64 122.28 12.55 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.989 ' HB ' HD13 ' A' ' 12' ' ' LEU . 14.9 t -111.41 146.04 37.87 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.844 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -107.07 117.91 35.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.614 0.245 . . . . 0.0 110.354 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.701 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -148.36 150.55 33.77 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.13 0.49 . . . . 0.0 111.817 -179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 38.8 t -50.94 -24.57 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.894 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.429 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -160.25 176.35 11.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.8 0.333 . . . . 0.0 111.527 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.69 90.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.493 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.24 -53.09 58.46 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.837 ' O ' HG23 ' B' ' 29' ' ' VAL . 58.2 p -53.35 -46.07 69.38 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.839 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -58.2 -51.85 68.02 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 2.6 tm-20 -53.04 -46.73 68.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.509 178.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -64.56 -49.67 70.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.402 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.837 HG23 ' O ' ' B' ' 25' ' ' THR . 66.8 t -54.54 -41.19 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.921 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.839 HG23 ' O ' ' B' ' 26' ' ' ALA . 66.7 t -62.24 -45.72 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.453 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 10.9 mmtm -49.6 -48.99 48.53 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.92 0.391 . . . . 0.0 109.964 179.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.403 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 3.5 tp-100 -59.31 -39.67 83.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.198 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.86 ' CG ' HD23 ' A' ' 12' ' ' LEU . 40.0 t80 -51.83 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.99 179.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.48 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 28.1 m-85 -67.86 -38.87 83.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.012 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.565 HD22 HG22 ' A' ' 39' ' ' VAL . 25.4 t-20 -50.6 -37.94 42.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.535 0.683 . . . . 0.0 109.759 178.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.19 -23.77 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.717 -1.129 . . . . 0.0 112.399 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.441 ' O ' ' HA3' ' B' ' 41' ' ' GLY . 85.6 m-20 -82.24 -43.47 17.56 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.941 0.401 . . . . 0.0 110.187 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.458 ' HA2' ' CB ' ' A' ' 34' ' ' PHE . . . -13.92 -114.16 0.0 OUTLIER Glycine 0 C--N 1.332 0.343 0 N-CA-C 116.687 1.435 . . . . 0.0 116.687 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.575 HG22 HD22 ' A' ' 35' ' ' ASN . 97.6 t -77.54 -55.65 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -176.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.28 24.88 3.61 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' B' ' 37' ' ' ASN . . . -63.3 141.9 46.61 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.104 -1.046 . . . . 0.0 112.36 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -87.68 103.2 15.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.656 0.265 . . . . 0.0 110.309 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.812 ' CD1' HG13 ' B' ' 54' ' ' VAL . 3.7 m0 -120.8 148.88 43.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.092 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -118.08 146.95 43.73 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 10.0 t80 -111.57 142.87 43.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 111.667 -179.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -122.98 85.38 2.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.646 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.42 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 12.2 m-20 -46.49 -38.86 9.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.713 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.97 -32.59 15.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 67.7 p -128.19 12.71 6.62 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 16.8 mttp 49.11 34.31 5.71 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.034 0.445 . . . . 0.0 110.606 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 4' ' ' LYS . 85.9 m -118.23 141.63 48.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.486 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.505 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.1 m-85 -113.25 147.55 37.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.122 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -122.6 128.64 50.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.997 0.427 . . . . 0.0 111.069 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.812 HG13 ' CD1' ' B' ' 43' ' ' TRP . 71.7 t -104.12 104.56 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.282 179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.712 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 25.3 m -100.71 118.11 36.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.422 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.821 -179.809 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 . . . . . 0 N--CA 1.455 -0.177 0 N-CA-C 110.11 -0.329 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.506 ' CD2' ' HB3' ' B' ' 50' ' ' LYS . 21.8 m-85 -124.88 143.69 50.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.662 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.676 ' O ' HG23 ' B' ' 51' ' ' THR . 87.8 tttt -109.79 111.75 23.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.547 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.87 HG21 HG21 ' A' ' 30' ' ' VAL . 57.5 t -94.98 134.83 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.102 0.477 . . . . 0.0 110.473 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.3 mt -107.16 122.73 61.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.865 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.497 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 18.8 mt -101.22 86.35 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.287 0.565 . . . . 0.0 109.817 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.64 ' O ' ' HA ' ' B' ' 55' ' ' THR . 32.7 t-20 -92.06 100.98 13.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.357 -178.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.0 153.92 16.69 Favored Glycine 0 N--CA 1.453 -0.168 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.009 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -54.3 -52.95 59.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.86 0.362 . . . . 0.0 111.616 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.626 ' HB ' HG11 ' B' ' 29' ' ' VAL . 10.4 p -96.64 -9.61 28.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.606 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.81 HD13 ' HB ' ' B' ' 18' ' ' THR . 12.0 tp -134.5 134.79 41.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.608 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.546 ' H ' HD12 ' A' ' 12' ' ' LEU . 36.8 mtmm -144.04 142.68 30.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.503 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.525 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.94 -166.77 35.48 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.27 -0.967 . . . . 0.0 113.265 -179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -147.97 143.76 27.52 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.32 0.581 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.774 HG23 ' HB ' ' A' ' 5' ' ' VAL . 4.7 t -138.97 169.23 18.17 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.168 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.0 p -143.33 121.3 12.05 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.809 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.1 t -110.85 146.6 36.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.459 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -107.63 120.17 41.48 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.711 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -149.22 152.23 35.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.218 0.532 . . . . 0.0 111.904 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.3 t -50.72 -26.08 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.749 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.637 ' OD1' HG23 ' A' ' 25' ' ' THR . 58.9 p30 -159.57 175.5 13.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 111.367 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.52 -41.62 81.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.688 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.09 -54.95 29.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.89 ' O ' HG23 ' A' ' 29' ' ' VAL . 41.8 p -51.53 -45.7 63.03 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.74 -53.06 62.42 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 8.9 tm-20 -52.81 -46.58 67.75 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.37 179.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -62.48 -46.23 89.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.033 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 25' ' ' THR . 57.6 t -58.06 -38.51 67.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.015 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.87 HG21 HG21 ' A' ' 5' ' ' VAL . 65.7 t -64.62 -47.81 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.778 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 3.7 mmmp? -49.62 -51.24 38.98 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.007 0.432 . . . . 0.0 110.096 178.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.417 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 3.3 tp-100 -58.45 -38.58 77.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.02 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.652 ' CD2' HD23 ' B' ' 12' ' ' LEU . 24.4 t80 -51.14 -67.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.012 179.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 28.6 m-85 -65.09 -37.24 86.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.641 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.642 ' ND2' HG22 ' B' ' 39' ' ' VAL . 29.8 t-20 -52.12 -38.51 57.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.547 0.689 . . . . 0.0 109.638 178.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -94.23 -25.64 16.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.396 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 38' ' ' GLY . 84.8 m-20 -79.22 -42.59 25.63 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.074 0.464 . . . . 0.0 110.042 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -8.51 -115.51 0.0 OUTLIER Glycine 0 CA--C 1.52 0.401 0 CA-C-N 114.499 -1.228 . . . . 0.0 115.896 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.643 HG22 ' ND2' ' B' ' 35' ' ' ASN . 95.3 t -80.33 -55.49 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 -176.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.75 26.23 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.74 143.49 46.85 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.037 -1.078 . . . . 0.0 112.426 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -79.74 96.59 6.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.74 0.305 . . . . 0.0 110.295 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.783 ' CH2' ' HD2' ' B' ' 31' ' ' LYS . 6.6 m0 -110.14 134.73 51.9 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -178.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.0 p -111.54 141.48 45.06 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.498 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 19.3 t80 -111.38 144.42 40.61 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.478 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.2 t0 -123.77 81.91 1.96 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.011 178.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.23 -36.97 6.6 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.074 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.478 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.98 -31.99 14.03 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.5 p -128.75 12.96 6.36 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.504 ' HB3' ' CD2' ' B' ' 3' ' ' TYR . 3.8 mppt? 49.27 33.84 5.62 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.007 0.432 . . . . 0.0 110.707 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.676 HG23 ' O ' ' B' ' 4' ' ' LYS . 88.8 m -117.29 135.22 53.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.281 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 2.8 m-85 -108.27 148.69 29.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.962 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -121.28 112.79 19.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.225 0.536 . . . . 0.0 111.914 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.8 t -91.16 107.89 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.999 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.637 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 34.7 m -104.23 119.58 39.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.763 -178.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.152 -0.927 . . . . 0.0 110.892 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.839 0.352 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -101.89 140.96 35.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.105 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.504 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 21.3 m-85 -124.92 143.64 50.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.705 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.676 ' O ' HG23 ' A' ' 51' ' ' THR . 87.8 tttt -109.73 111.61 23.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.544 -178.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.889 HG21 HG21 ' B' ' 30' ' ' VAL . 57.5 t -94.96 134.91 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.141 0.496 . . . . 0.0 110.466 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 72.1 mt -107.24 122.63 61.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.818 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 18.6 mt -101.09 86.26 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.285 0.564 . . . . 0.0 109.904 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.637 ' O ' ' HA ' ' A' ' 55' ' ' THR . 32.7 t-20 -92.1 101.17 13.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.255 -178.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.23 153.85 16.7 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.97 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -54.13 -53.16 57.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 111.561 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.619 ' HB ' HG11 ' A' ' 29' ' ' VAL . 10.7 p -96.49 -9.6 29.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.66 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.809 HD13 ' HB ' ' A' ' 18' ' ' THR . 11.8 tp -134.54 134.95 41.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.499 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.542 ' H ' HD12 ' B' ' 12' ' ' LEU . 36.8 mtmm -144.07 142.65 30.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.536 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.526 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.93 -166.79 35.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.234 -0.984 . . . . 0.0 113.162 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -147.93 143.77 27.57 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.244 0.545 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.774 ' OG1' HD11 ' A' ' 12' ' ' LEU . 4.8 t -138.97 169.24 18.15 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.146 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 68.7 p -143.29 121.22 12.02 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.81 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.1 t -110.81 146.53 36.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.35 178.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -107.6 120.15 41.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.706 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -149.23 152.12 35.43 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.249 0.547 . . . . 0.0 111.891 -179.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -50.55 -26.12 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.809 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.631 ' OD1' HG23 ' B' ' 25' ' ' THR . 58.9 p30 -159.54 175.5 13.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.946 0.403 . . . . 0.0 111.449 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.46 -41.69 81.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.754 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.97 -54.93 30.66 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.892 ' O ' HG23 ' B' ' 29' ' ' VAL . 41.7 p -51.52 -45.72 63.01 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.657 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.78 -53.11 61.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 8.9 tm-20 -52.75 -46.49 67.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.414 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -62.62 -46.26 89.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.931 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.892 HG23 ' O ' ' B' ' 25' ' ' THR . 57.6 t -58.02 -38.57 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.016 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.889 HG21 HG21 ' B' ' 5' ' ' VAL . 66.0 t -64.6 -47.79 87.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.783 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 3.7 mmmp? -49.62 -51.4 37.89 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.022 0.439 . . . . 0.0 110.067 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.419 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 3.3 tp-100 -58.41 -38.39 77.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.078 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.653 ' CD2' HD23 ' A' ' 12' ' ' LEU . 24.5 t80 -51.34 -67.89 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.928 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.459 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 28.5 m-85 -65.07 -37.25 86.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.652 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.643 ' ND2' HG22 ' A' ' 39' ' ' VAL . 29.8 t-20 -52.06 -38.58 57.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.512 0.672 . . . . 0.0 109.546 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -94.3 -25.45 17.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.781 -1.099 . . . . 0.0 112.452 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' B' ' 38' ' ' GLY . 84.7 m-20 -79.33 -42.5 25.56 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.099 0.476 . . . . 0.0 110.087 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -8.68 -115.25 0.0 OUTLIER Glycine 0 CA--C 1.52 0.378 0 CA-C-N 114.506 -1.224 . . . . 0.0 116.029 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.642 HG22 ' ND2' ' A' ' 35' ' ' ASN . 96.6 t -80.52 -55.48 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 -176.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.73 26.1 2.85 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -177.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.63 143.29 46.67 Favored Glycine 0 CA--C 1.522 0.511 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.413 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -79.51 96.54 6.13 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.747 0.308 . . . . 0.0 110.371 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.778 ' CH2' ' HD2' ' A' ' 31' ' ' LYS . 6.7 m0 -110.16 134.79 51.84 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.403 ' OG1' ' OG1' ' B' ' 53' ' ' THR . 68.6 p -111.52 141.65 44.81 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.501 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 19.2 t80 -111.52 144.35 40.89 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.479 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.3 t0 -123.6 81.77 1.94 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.065 178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.09 -37.07 6.37 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.113 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.479 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.84 -32.07 13.37 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.6 p -128.64 12.77 6.39 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 3.8 mppt? 49.22 34.08 5.75 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.063 0.459 . . . . 0.0 110.592 -179.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 4' ' ' LYS . 88.5 m -117.34 135.28 53.96 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.269 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.501 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 2.8 m-85 -108.38 148.76 29.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.911 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.403 ' OG1' ' OG1' ' B' ' 44' ' ' THR . 3.1 p -121.26 112.64 18.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.247 0.546 . . . . 0.0 111.965 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.7 t -91.08 107.88 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.975 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.64 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 35.3 m -104.22 119.71 39.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.668 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.946 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 N--CA 1.456 -0.152 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.44 ' CE2' ' HD2' ' B' ' 50' ' ' LYS . 2.6 m-85 -128.95 148.3 50.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.842 0.353 . . . . 0.0 111.007 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.788 ' O ' HG23 ' B' ' 51' ' ' THR . 4.8 ttmp? -106.81 109.2 21.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.643 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.712 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.6 t -94.54 129.21 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.264 0.554 . . . . 0.0 111.344 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.42 HG13 ' CG2' ' B' ' 51' ' ' THR . 76.5 mt -100.8 116.33 44.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.361 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.452 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.8 mt -95.06 85.48 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.792 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.618 ' O ' ' HA ' ' B' ' 55' ' ' THR . 33.7 t-20 -96.8 107.25 19.7 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.736 -178.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.79 -165.92 14.58 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.359 -0.924 . . . . 0.0 112.621 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -75.35 -58.12 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.422 ' OG1' HG13 ' B' ' 29' ' ' VAL . 11.5 p -109.66 10.32 24.91 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.228 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.014 HD13 ' HB ' ' B' ' 18' ' ' THR . 24.4 tp -138.44 138.93 38.61 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.061 0.458 . . . . 0.0 111.457 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.503 ' H ' HD12 ' A' ' 12' ' ' LEU . 36.0 mtmm -145.29 145.43 31.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.473 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.46 -173.42 43.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.151 -1.023 . . . . 0.0 113.305 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -141.25 136.67 31.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.9 0.381 . . . . 0.0 110.459 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.787 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -134.9 167.66 20.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.103 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.462 HG22 ' HA ' ' A' ' 4' ' ' LYS . 58.6 p -143.54 118.68 10.11 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -178.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 1.006 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.4 t -107.87 146.28 32.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.708 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -105.3 116.0 31.21 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.62 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -146.81 149.45 33.35 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.188 0.518 . . . . 0.0 111.956 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.12 -36.51 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.15 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.659 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -145.15 171.99 13.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.856 0.36 . . . . 0.0 111.282 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.8 86.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.652 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.51 -54.23 43.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.086 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.888 ' O ' HG23 ' A' ' 29' ' ' VAL . 75.6 p -52.0 -46.11 64.79 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.33 -53.03 62.86 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.212 178.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -51.35 -46.89 62.85 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.218 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -63.39 -46.9 84.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.9 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 25' ' ' THR . 92.5 t -55.1 -43.43 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.133 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 26' ' ' ALA . 40.9 t -64.53 -47.35 89.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 57.9 mtpt -51.76 -46.13 63.98 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.061 178.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.85 -38.65 82.7 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.948 ' CG ' HD23 ' B' ' 12' ' ' LEU . 60.8 t80 -52.59 -65.52 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.927 178.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.445 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 27.7 m-85 -65.45 -38.22 89.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.565 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.445 ' ND2' HG21 ' B' ' 39' ' ' VAL . 31.6 t-20 -52.04 -38.43 56.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.487 0.66 . . . . 0.0 109.949 178.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.456 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 58.3 m-20 -94.04 -23.35 18.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.865 -1.062 . . . . 0.0 112.333 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.497 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 85.8 m-20 -82.36 -46.36 13.67 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.534 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -9.23 -111.55 0.0 OUTLIER Glycine 0 CA--C 1.521 0.449 0 N-CA-C 115.631 1.013 . . . . 0.0 115.631 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 39' ' ' VAL . 19.7 t -110.39 5.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -176.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -125.15 10.79 8.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 118.568 0.622 . . . . 0.0 111.873 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.49 171.48 54.1 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.181 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -97.72 102.21 13.92 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.62 ' HH2' HG12 ' B' ' 30' ' ' VAL . 9.1 m95 -97.9 119.68 36.94 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.9 p -109.54 137.77 46.89 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.5 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 18.5 t80 -111.22 144.35 40.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.076 0.465 . . . . 0.0 111.946 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -123.58 81.7 1.93 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.283 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.92 -35.3 10.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.718 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.94 -33.45 17.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.972 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.9 p -128.29 12.25 6.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.681 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HD2' ' CE2' ' B' ' 3' ' ' TYR . 20.4 mtmt 52.81 31.69 11.01 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.802 0.334 . . . . 0.0 110.728 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.787 HG23 ' O ' ' B' ' 4' ' ' LYS . 93.6 m -117.49 140.52 49.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.088 0.471 . . . . 0.0 112.086 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.8 m-85 -110.33 142.45 41.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.068 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -117.45 101.56 8.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.186 0.517 . . . . 0.0 111.726 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.0 t -82.82 106.96 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.82 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.618 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 18.9 m -97.78 111.24 23.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.361 -179.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.456 ' HG2' ' HB2' ' A' ' 36' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.298 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 82.1 mtp . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.917 0.389 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -107.87 145.24 33.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.099 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.443 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 2.5 m-85 -128.87 148.26 50.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.836 0.35 . . . . 0.0 111.098 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.787 ' O ' HG23 ' A' ' 51' ' ' THR . 4.8 ttmp? -106.68 109.24 21.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.755 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.716 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.4 t -94.7 129.26 45.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.287 0.565 . . . . 0.0 111.269 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.423 HG13 ' CG2' ' A' ' 51' ' ' THR . 76.4 mt -100.81 116.39 44.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.244 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.7 mt -94.99 85.3 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.909 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.618 ' O ' ' HA ' ' A' ' 55' ' ' THR . 33.7 t-20 -96.73 107.18 19.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.774 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.74 -165.94 14.61 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.394 -0.908 . . . . 0.0 112.71 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -75.39 -58.14 3.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.822 0.344 . . . . 0.0 111.066 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.424 ' OG1' HG13 ' A' ' 29' ' ' VAL . 11.4 p -109.63 10.22 24.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 1.006 HD13 ' HB ' ' A' ' 18' ' ' THR . 24.1 tp -138.41 138.8 38.56 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.069 0.461 . . . . 0.0 111.464 -179.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.5 ' H ' HD12 ' B' ' 12' ' ' LEU . 36.0 mtmm -145.29 145.37 31.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.463 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.488 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.45 -173.49 43.87 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.109 -1.043 . . . . 0.0 113.24 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -141.11 136.63 32.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.853 0.359 . . . . 0.0 110.515 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.785 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -134.76 167.66 20.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.079 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.461 HG22 ' HA ' ' B' ' 4' ' ' LYS . 60.0 p -143.59 118.67 10.07 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 1.014 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.4 t -107.81 146.31 32.41 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.588 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -105.4 116.17 31.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -146.98 149.42 33.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.231 0.539 . . . . 0.0 111.911 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.14 -36.47 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.366 -0.833 . . . . 0.0 112.129 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.662 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -145.25 172.0 13.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.8 0.333 . . . . 0.0 111.199 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.19 -42.77 86.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.582 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.58 -54.26 42.31 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.889 ' O ' HG23 ' B' ' 29' ' ' VAL . 75.8 p -52.0 -46.01 64.74 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.667 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.28 -52.97 63.39 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.353 177.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -51.39 -47.08 63.02 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.15 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -63.12 -46.91 85.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.95 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.889 HG23 ' O ' ' B' ' 25' ' ' THR . 93.1 t -55.25 -43.16 69.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.307 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.667 HG23 ' O ' ' B' ' 26' ' ' ALA . 41.2 t -64.64 -47.37 89.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 58.1 mtpt -51.83 -46.05 64.18 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.136 178.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.79 -38.72 82.71 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.947 ' CG ' HD23 ' A' ' 12' ' ' LEU . 60.6 t80 -52.45 -65.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.913 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.445 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 27.8 m-85 -65.5 -38.23 89.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.584 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.435 ' ND2' HG21 ' A' ' 39' ' ' VAL . 31.6 t-20 -52.02 -38.48 57.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.431 0.634 . . . . 0.0 109.797 178.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.465 ' HB2' ' HG2' ' B' ' 56' ' ' GLU . 58.0 m-20 -94.04 -23.37 18.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.91 -1.041 . . . . 0.0 112.3 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.495 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 85.6 m-20 -82.19 -46.45 13.74 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.964 0.412 . . . . 0.0 110.557 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -9.26 -111.72 0.0 OUTLIER Glycine 0 CA--C 1.522 0.472 0 N-CA-C 115.709 1.043 . . . . 0.0 115.709 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.632 HG12 ' O ' ' B' ' 39' ' ' VAL . 19.0 t -110.19 5.4 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -176.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -125.27 11.03 8.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 118.651 0.659 . . . . 0.0 111.83 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.91 171.59 53.87 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.555 -0.831 . . . . 0.0 113.197 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -97.76 102.09 13.76 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.619 ' HH2' HG12 ' A' ' 30' ' ' VAL . 9.1 m95 -97.87 119.43 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -178.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.409 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 75.1 p -109.37 137.86 46.61 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.5 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 18.4 t80 -111.25 144.25 40.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.088 0.47 . . . . 0.0 111.862 -178.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -123.5 81.65 1.92 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.293 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.8 -35.46 10.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.712 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.85 -33.53 17.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.933 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.9 p -128.23 12.28 6.54 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.44 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 20.3 mtmt 52.68 31.79 10.88 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.787 0.327 . . . . 0.0 110.686 -179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.788 HG23 ' O ' ' A' ' 4' ' ' LYS . 94.1 m -117.59 140.5 49.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.208 0.528 . . . . 0.0 111.976 -178.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.8 m-85 -110.31 142.42 41.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.137 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.409 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 2.9 p -117.46 101.6 8.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.133 0.492 . . . . 0.0 111.801 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.8 106.83 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.874 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.618 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 18.0 m -97.52 111.16 23.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.482 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.465 ' HG2' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.305 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.589 0.233 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.479 ' CE2' ' HE2' ' B' ' 50' ' ' LYS . 10.1 m-85 -126.82 152.71 46.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.974 0.416 . . . . 0.0 111.032 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' B' ' 51' ' ' THR . 17.6 tppt? -98.59 128.95 45.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.569 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.732 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.9 t -119.04 119.02 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.492 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.559 ' HB ' HG22 ' B' ' 53' ' ' THR . 63.4 mt -102.72 124.51 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.131 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.468 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 17.4 mt -106.21 94.57 5.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.39 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.617 ' O ' ' HA ' ' B' ' 55' ' ' THR . 81.9 m-20 -103.29 108.85 20.24 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.34 -0.391 . . . . 0.0 112.027 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.05 -165.64 14.36 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.234 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -78.28 -57.51 3.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.887 0.375 . . . . 0.0 111.001 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.55 ' OG1' HG13 ' B' ' 29' ' ' VAL . 7.7 p -106.61 7.25 30.57 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.572 -178.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.986 HD13 ' HB ' ' B' ' 18' ' ' THR . 22.4 tp -136.2 135.45 39.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.047 0.451 . . . . 0.0 111.45 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.439 ' H ' HD12 ' A' ' 12' ' ' LEU . 46.2 mmtm -137.9 137.9 38.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.033 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -173.84 -176.12 42.04 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 119.821 -1.18 . . . . 0.0 113.641 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -143.33 141.85 31.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.886 0.374 . . . . 0.0 110.497 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.732 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -141.64 168.87 18.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.01 -179.437 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.544 ' O ' HD12 ' B' ' 12' ' ' LEU . 70.2 p -143.74 122.85 12.88 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -179.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.988 ' HB ' HD13 ' B' ' 12' ' ' LEU . 10.8 t -109.45 146.36 34.65 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.144 179.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -106.1 117.17 33.35 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -148.56 149.57 31.81 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.212 0.529 . . . . 0.0 111.954 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -51.18 -36.51 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.141 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.562 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -146.18 172.68 13.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.818 0.342 . . . . 0.0 111.341 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.03 -43.17 86.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.572 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.22 -54.74 36.63 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.852 ' O ' HG23 ' A' ' 29' ' ' VAL . 77.6 p -52.4 -45.8 66.04 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.28 -53.39 58.84 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.09 178.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -49.37 -48.33 46.93 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.277 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.35 -46.71 87.44 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.077 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 25' ' ' THR . 89.0 t -55.2 -43.38 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.351 179.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.613 HG12 ' CH2' ' B' ' 43' ' ' TRP . 60.5 t -65.87 -49.31 77.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HA ' ' CH2' ' B' ' 43' ' ' TRP . 50.4 mtpt -53.88 -43.81 69.93 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.443 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.93 -37.8 83.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.431 0.634 . . . . 0.0 109.368 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.935 ' CG ' HD23 ' B' ' 12' ' ' LEU . 53.5 t80 -52.99 -64.29 0.87 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.851 179.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -67.73 -39.69 84.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.066 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.699 ' ND2' HG22 ' B' ' 39' ' ' VAL . 31.0 t-20 -51.31 -39.01 56.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.577 0.703 . . . . 0.0 109.756 178.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.409 ' CB ' ' OE2' ' A' ' 56' ' ' GLU . 1.3 m-20 -94.68 -25.59 16.66 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.637 -1.165 . . . . 0.0 112.727 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.505 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.0 m-20 -77.21 -39.24 49.4 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.983 0.42 . . . . 0.0 110.091 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.39 -116.88 0.0 OUTLIER Glycine 0 CA--C 1.521 0.466 0 CA-C-N 114.614 -1.175 . . . . 0.0 115.725 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.705 HG22 ' ND2' ' B' ' 35' ' ' ASN . 60.4 t -83.54 -55.64 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 -175.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -88.8 25.7 1.7 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -176.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.19 149.1 51.68 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 119.918 -1.134 . . . . 0.0 112.052 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -78.04 91.65 4.28 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.886 0.343 . . . . 0.0 110.274 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.611 ' CH2' HG12 ' B' ' 30' ' ' VAL . 8.6 m0 -101.57 125.04 48.16 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.6 p -107.82 139.95 41.65 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 13.0 t80 -112.67 141.04 46.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.111 0.481 . . . . 0.0 111.904 -178.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.402 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.9 t0 -123.61 82.92 2.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.267 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.05 -37.09 19.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.339 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.402 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -54.29 -32.49 56.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.54 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.8 p -115.5 7.76 15.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.672 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.481 ' HE2' ' CE2' ' B' ' 3' ' ' TYR . 11.9 mmmm 49.28 33.2 4.98 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.77 0.319 . . . . 0.0 110.715 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 90.9 m -125.18 153.55 42.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.147 0.499 . . . . 0.0 111.908 -178.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 1.9 m-85 -121.68 143.96 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.901 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.57 HG22 ' HB ' ' B' ' 6' ' ' ILE . 3.0 p -122.42 128.53 51.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.118 0.485 . . . . 0.0 111.577 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.9 t -103.68 104.17 16.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.678 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.617 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 26.5 m -95.43 112.2 23.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.988 -178.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.409 ' OE2' ' CB ' ' A' ' 36' ' ' ASP . 16.8 tp10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.111 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.726 0.298 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -106.89 139.88 40.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.607 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.481 ' CE2' ' HE2' ' A' ' 50' ' ' LYS . 10.0 m-85 -126.75 152.75 46.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.973 0.416 . . . . 0.0 111.086 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 51' ' ' THR . 17.6 tppt? -98.64 129.13 45.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.598 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.727 ' HB ' HG23 ' B' ' 16' ' ' THR . 62.1 t -119.17 118.99 59.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.481 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.57 ' HB ' HG22 ' A' ' 53' ' ' THR . 63.8 mt -102.62 124.37 56.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.283 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 17.5 mt -106.09 94.62 5.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.386 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.617 ' O ' ' HA ' ' A' ' 55' ' ' THR . 81.9 m-20 -103.42 108.96 20.41 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.966 -179.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.92 -165.69 14.44 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.282 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -78.37 -57.37 3.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.851 0.358 . . . . 0.0 111.083 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.551 ' OG1' HG13 ' A' ' 29' ' ' VAL . 7.7 p -106.59 7.27 30.63 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.561 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.988 HD13 ' HB ' ' A' ' 18' ' ' THR . 22.8 tp -136.19 135.49 39.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.084 0.468 . . . . 0.0 111.488 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.437 ' H ' HD12 ' B' ' 12' ' ' LEU . 46.2 mmtm -137.92 137.88 38.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.015 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.452 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -173.86 -176.16 42.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 119.932 -1.128 . . . . 0.0 113.691 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -143.24 141.94 31.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.881 0.372 . . . . 0.0 110.488 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.727 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -141.7 168.84 18.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.987 -179.454 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.55 ' O ' HD12 ' A' ' 12' ' ' LEU . 70.7 p -143.78 122.97 12.95 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.986 ' HB ' HD13 ' A' ' 12' ' ' LEU . 10.7 t -109.55 146.26 34.96 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.102 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -106.0 117.15 33.29 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.625 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -148.48 149.62 31.98 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.233 0.54 . . . . 0.0 111.974 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -51.09 -36.56 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.166 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.564 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -146.21 172.7 13.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.818 0.342 . . . . 0.0 111.346 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.1 -43.1 86.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.528 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.11 -54.86 35.23 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.854 ' O ' HG23 ' B' ' 29' ' ' VAL . 77.1 p -52.42 -45.85 66.12 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.625 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -59.18 -53.34 59.38 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.194 177.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -49.37 -48.35 46.93 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.223 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.42 -46.64 87.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.121 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.854 HG23 ' O ' ' B' ' 25' ' ' THR . 89.0 t -55.29 -43.42 71.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.264 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.611 HG12 ' CH2' ' A' ' 43' ' ' TRP . 61.2 t -65.87 -49.28 78.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.437 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . 50.4 mtpt -53.7 -43.93 69.38 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.46 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.97 -37.87 83.93 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.937 ' CG ' HD23 ' A' ' 12' ' ' LEU . 53.2 t80 -52.83 -64.41 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.897 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -67.59 -39.82 84.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.132 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.705 ' ND2' HG22 ' A' ' 39' ' ' VAL . 30.9 t-20 -51.32 -38.92 55.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.596 0.712 . . . . 0.0 109.759 178.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.41 ' CB ' ' OE2' ' B' ' 56' ' ' GLU . 1.3 m-20 -94.67 -25.69 16.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.626 -1.17 . . . . 0.0 112.714 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.498 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.0 m-20 -77.13 -39.27 49.92 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.03 0.443 . . . . 0.0 110.213 179.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.35 -116.77 0.0 OUTLIER Glycine 0 CA--C 1.521 0.461 0 CA-C-N 114.504 -1.226 . . . . 0.0 115.829 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.699 HG22 ' ND2' ' A' ' 35' ' ' ASN . 61.7 t -83.79 -55.57 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 -175.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -88.73 25.71 1.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.42 149.2 51.61 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 119.722 -1.227 . . . . 0.0 112.044 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -78.03 91.64 4.28 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.798 0.299 . . . . 0.0 110.353 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.613 ' CH2' HG12 ' A' ' 30' ' ' VAL . 8.7 m0 -101.53 125.12 48.13 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 72.2 p -107.77 139.98 41.52 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 12.9 t80 -112.7 141.07 46.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.042 0.449 . . . . 0.0 111.944 -178.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.401 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.9 t0 -123.66 82.98 2.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.158 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.99 -37.16 19.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.37 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.401 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -54.31 -32.48 56.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.566 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 77.2 p -115.44 7.67 15.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.678 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.479 ' HE2' ' CE2' ' A' ' 3' ' ' TYR . 11.9 mmmm 49.35 33.13 5.04 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.769 0.319 . . . . 0.0 110.751 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 91.0 m -125.18 153.51 42.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.173 0.511 . . . . 0.0 111.824 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 2.0 m-85 -121.66 143.91 49.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.917 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.559 HG22 ' HB ' ' A' ' 6' ' ' ILE . 3.0 p -122.36 128.52 51.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.116 0.484 . . . . 0.0 111.607 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.6 t -103.61 104.14 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.759 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.617 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 26.7 m -95.41 112.28 24.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.983 0.421 . . . . 0.0 111.959 -178.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.41 ' OE2' ' CB ' ' B' ' 36' ' ' ASP . 16.7 tp10 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.114 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.769 0.319 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.416 ' CE2' ' HE3' ' B' ' 50' ' ' LYS . 23.0 m-85 -123.59 145.06 49.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.762 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.775 ' O ' HG23 ' B' ' 51' ' ' THR . 53.6 tptt -102.08 103.59 14.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.169 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.645 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.1 t -94.39 124.01 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.328 0.585 . . . . 0.0 111.502 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.466 ' CD1' HG21 ' B' ' 51' ' ' THR . 73.4 mt -101.9 129.21 53.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.776 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mt -108.95 83.47 1.76 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.302 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.545 ' O ' ' HA ' ' B' ' 55' ' ' THR . 79.4 m-20 -90.23 111.06 22.1 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.07 -168.95 14.89 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.127 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.476 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.3 mtmp? -82.08 -58.11 3.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.99 0.424 . . . . 0.0 110.435 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.432 ' OG1' HG13 ' B' ' 29' ' ' VAL . 6.8 p -100.22 0.04 39.6 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.641 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.989 HD13 ' HB ' ' B' ' 18' ' ' THR . 16.3 tp -137.53 137.67 38.85 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.534 ' H ' HD12 ' A' ' 12' ' ' LEU . 35.8 mtmm -144.97 144.74 31.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.902 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.543 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.4 -167.24 37.13 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 119.816 -1.183 . . . . 0.0 113.323 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.483 ' HB3' ' HE3' ' A' ' 4' ' ' LYS . 40.0 mt-10 -148.59 155.3 40.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 110.63 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.743 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -150.96 169.07 22.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.814 -179.67 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 4' ' ' LYS . 54.8 p -143.08 118.65 10.39 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.988 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.9 t -106.18 143.22 34.62 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.571 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -104.28 114.91 29.47 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.16 152.63 36.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.349 0.595 . . . . 0.0 112.145 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.5 t -51.06 -37.63 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.088 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.677 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -143.84 169.25 18.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.062 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.555 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -56.56 -41.72 77.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.569 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.01 -54.71 34.06 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.845 ' O ' HG23 ' A' ' 29' ' ' VAL . 74.4 p -52.47 -46.22 66.43 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.667 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -60.14 -52.13 66.63 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.136 178.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.438 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 89.3 tt0 -52.76 -48.74 66.57 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.712 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -57.67 -38.62 75.44 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.517 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.845 HG23 ' O ' ' A' ' 25' ' ' THR . 91.0 t -59.71 -37.27 70.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.407 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.522 HG12 ' HH2' ' B' ' 43' ' ' TRP . 20.6 t -66.21 -48.9 79.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.479 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.448 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 1.1 mptm? -48.05 -42.84 29.58 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.113 0.482 . . . . 0.0 110.131 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -69.42 -37.86 77.64 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.91 ' CG ' HD23 ' B' ' 12' ' ' LEU . 47.3 t80 -55.26 -56.77 16.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.242 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.467 ' CE2' HG12 ' A' ' 30' ' ' VAL . 25.1 m-85 -72.62 -42.27 64.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.575 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.569 HD22 HG21 ' B' ' 39' ' ' VAL . 14.8 t-20 -48.88 -38.16 21.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.502 0.667 . . . . 0.0 110.11 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.52 -23.32 17.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.596 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.458 ' O ' ' C ' ' A' ' 38' ' ' GLY . 88.1 m-20 -78.34 -46.67 19.47 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -3.98 -121.88 0.0 OUTLIER Glycine 0 C--N 1.333 0.373 0 CA-C-N 114.734 -1.121 . . . . 0.0 115.657 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 39' ' ' VAL . 43.5 t -111.66 4.08 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -176.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -125.0 13.75 8.45 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.872 -0.518 . . . . 0.0 112.215 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.45 178.62 51.6 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.911 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -97.28 100.97 12.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.818 0.342 . . . . 0.0 110.313 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.533 ' HH2' HG12 ' B' ' 30' ' ' VAL . 7.8 m0 -97.24 118.61 34.06 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.3 p -104.25 132.2 50.75 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 9.1 t80 -107.67 143.97 35.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 0.0 111.393 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -122.96 83.67 2.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.429 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 12.8 m-20 -47.62 -37.88 13.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.61 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.59 -32.12 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.139 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.4 p -128.24 15.12 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HE3' ' CE2' ' B' ' 3' ' ' TYR . 31.8 mmmt 49.06 34.13 5.42 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.979 0.418 . . . . 0.0 110.056 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.779 HG23 ' O ' ' B' ' 4' ' ' LYS . 86.7 m -113.19 141.7 46.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.836 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.552 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 96.7 m-85 -106.24 120.48 41.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.39 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -106.05 127.32 53.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.228 0.537 . . . . 0.0 111.624 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.6 t -113.97 112.77 41.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.488 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.548 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 10.0 m -99.67 113.88 26.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.023 0.44 . . . . 0.0 111.549 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.224 -0.893 . . . . 0.0 111.127 179.77 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.925 0.393 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -105.54 139.47 40.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.38 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.413 ' CE2' ' HE3' ' A' ' 50' ' ' LYS . 22.5 m-85 -123.44 145.08 49.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.901 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.779 ' O ' HG23 ' A' ' 51' ' ' THR . 53.6 tptt -102.22 103.63 14.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.084 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.643 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.5 t -94.27 124.05 46.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.292 0.567 . . . . 0.0 111.579 -179.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.464 ' CD1' HG21 ' A' ' 51' ' ' THR . 73.4 mt -101.97 129.2 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.728 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mt -108.92 83.56 1.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.355 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.548 ' O ' ' HA ' ' A' ' 55' ' ' THR . 79.4 m-20 -90.31 111.17 22.27 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.03 -168.93 14.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.147 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.475 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.3 mtmp? -82.14 -58.05 3.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.004 0.431 . . . . 0.0 110.518 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.428 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 6.9 p -100.2 0.0 39.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.655 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.988 HD13 ' HB ' ' A' ' 18' ' ' THR . 16.3 tp -137.48 137.73 38.99 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.537 ' H ' HD12 ' B' ' 12' ' ' LEU . 35.8 mtmm -145.04 144.68 31.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.911 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.536 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.34 -167.3 37.26 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 119.868 -1.158 . . . . 0.0 113.347 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.472 ' HB3' ' HE3' ' B' ' 4' ' ' LYS . 40.1 mt-10 -148.54 155.36 41.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.033 0.444 . . . . 0.0 110.557 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.735 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -151.09 169.08 22.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.692 -179.717 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.486 HG22 ' HA ' ' B' ' 4' ' ' LYS . 56.5 p -143.01 118.55 10.37 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -178.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.989 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.9 t -106.12 143.21 34.57 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.646 178.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -104.25 114.86 29.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.508 0.194 . . . . 0.0 110.537 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -149.09 152.61 36.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.387 0.613 . . . . 0.0 112.169 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 20.7 t -51.09 -37.57 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.029 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.679 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -143.92 169.28 18.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.552 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -56.58 -41.76 77.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.632 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.93 -54.57 36.53 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.846 ' O ' HG23 ' B' ' 29' ' ' VAL . 75.4 p -52.51 -46.08 66.51 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -60.33 -52.06 66.88 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.44 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 89.3 tt0 -52.69 -48.71 66.36 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -57.71 -38.74 75.78 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.48 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.846 HG23 ' O ' ' B' ' 25' ' ' THR . 90.6 t -59.66 -37.22 69.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.37 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.533 HG12 ' HH2' ' A' ' 43' ' ' TRP . 20.5 t -66.17 -48.9 79.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.45 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 1.1 mptm? -48.13 -42.8 30.24 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.954 0.407 . . . . 0.0 110.068 178.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -69.41 -37.76 77.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.909 ' CG ' HD23 ' A' ' 12' ' ' LEU . 47.0 t80 -55.19 -56.91 14.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.199 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.464 ' CE2' HG12 ' B' ' 30' ' ' VAL . 25.0 m-85 -72.65 -42.25 64.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.595 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.57 HD22 HG21 ' A' ' 39' ' ' VAL . 14.8 t-20 -48.84 -38.16 21.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.392 0.615 . . . . 0.0 110.031 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.62 -23.28 17.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.93 -1.032 . . . . 0.0 112.572 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.462 ' O ' ' C ' ' B' ' 38' ' ' GLY . 88.0 m-20 -78.49 -46.39 19.75 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.11 -121.82 0.0 OUTLIER Glycine 0 C--N 1.333 0.373 0 CA-C-N 114.773 -1.103 . . . . 0.0 115.704 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.664 HG12 ' O ' ' B' ' 39' ' ' VAL . 43.7 t -111.75 4.11 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -176.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -125.07 13.71 8.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.849 -0.532 . . . . 0.0 112.13 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.41 178.68 51.64 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.978 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -97.35 101.06 12.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.867 0.365 . . . . 0.0 110.233 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.522 ' HH2' HG12 ' A' ' 30' ' ' VAL . 7.9 m0 -97.42 118.65 34.37 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -178.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 60.0 p -104.3 132.17 50.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.56 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.515 ' CD1' ' CD1' ' B' ' 52' ' ' PHE . 9.2 t80 -107.66 144.13 35.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.902 0.382 . . . . 0.0 111.239 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -123.11 83.68 2.16 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 12.9 m-20 -47.77 -37.71 14.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.556 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.74 -32.0 12.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.143 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.0 p -128.28 15.07 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.416 ' HE3' ' CE2' ' A' ' 3' ' ' TYR . 31.8 mmmt 48.92 34.25 5.28 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.072 0.463 . . . . 0.0 110.039 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.775 HG23 ' O ' ' A' ' 4' ' ' LYS . 87.5 m -113.22 141.69 46.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.799 -178.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.555 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 96.8 m-85 -106.16 120.35 41.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.487 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -106.07 127.3 53.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.309 0.576 . . . . 0.0 111.688 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.9 t -113.85 112.71 41.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.515 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 10.3 m -99.67 113.88 26.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.999 0.428 . . . . 0.0 111.574 -178.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.071 179.797 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 N--CA 1.456 -0.134 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -132.38 148.43 52.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.322 . . . . 0.0 110.86 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.496 ' NZ ' HG21 ' B' ' 51' ' ' THR . 28.9 ttpp -106.99 155.13 20.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.916 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.85 ' HB ' HG23 ' A' ' 16' ' ' THR . 55.0 t -137.2 128.18 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.29 0.567 . . . . 0.0 111.407 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.494 ' HB ' HG22 ' B' ' 53' ' ' THR . 70.9 mt -94.98 113.86 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.275 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.46 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.4 mt -94.33 85.31 4.57 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.628 ' O ' ' HA ' ' B' ' 55' ' ' THR . 30.8 t-20 -95.2 106.96 19.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.531 -177.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.488 ' HA2' ' HG2' ' B' ' 56' ' ' GLU . . . -115.18 -170.29 16.23 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.266 -0.969 . . . . 0.0 112.373 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' A' ' 10' ' ' LYS . 5.4 mtpm? -76.26 -56.2 4.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.042 0.449 . . . . 0.0 110.452 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.455 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 4.1 p -107.36 6.84 28.74 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.152 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.014 HD13 ' HB ' ' B' ' 18' ' ' THR . 22.8 tp -138.39 138.55 38.34 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.185 0.517 . . . . 0.0 111.474 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.511 ' H ' HD12 ' A' ' 12' ' ' LEU . 10.4 mtmp? -145.25 146.11 31.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.392 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.472 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 177.32 -166.47 37.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.206 -0.997 . . . . 0.0 113.281 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -146.76 156.65 43.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 110.63 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.85 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -151.12 169.17 22.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.541 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.452 ' O ' HD12 ' B' ' 12' ' ' LEU . 53.1 p -143.11 118.27 10.14 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 1.018 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.8 t -109.04 146.04 34.6 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.592 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -105.85 115.72 30.72 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.73 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -145.38 149.07 34.09 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 121.24 0.543 . . . . 0.0 111.732 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.3 t -50.88 -25.71 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.971 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.503 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -156.18 176.51 12.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.895 0.379 . . . . 0.0 111.4 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.81 96.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.395 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.04 -54.82 36.15 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.847 ' O ' HG23 ' A' ' 29' ' ' VAL . 57.0 p -50.8 -45.65 59.42 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.68 -53.58 56.32 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.087 178.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.36 -47.56 62.74 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.651 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.61 -45.26 93.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.562 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 25' ' ' THR . 88.7 t -58.94 -40.15 79.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.418 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 26' ' ' ALA . 58.1 t -64.76 -48.13 85.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.508 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 9.6 mtpm? -48.82 -51.26 30.4 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.024 0.44 . . . . 0.0 110.31 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.453 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 7.6 tt0 -60.3 -37.33 80.2 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.93 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.918 ' CG ' HD23 ' B' ' 12' ' ' LEU . 66.7 t80 -52.12 -55.77 18.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.812 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -72.1 -36.17 69.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.817 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.535 ' ND2' HG21 ' B' ' 39' ' ' VAL . 29.1 t-20 -50.06 -41.24 47.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.653 178.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -94.81 -22.76 17.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.816 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.8 m-20 -80.64 -46.68 15.25 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.079 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.86 -117.11 0.0 OUTLIER Glycine 0 CA--C 1.521 0.453 0 N-CA-C 115.539 0.975 . . . . 0.0 115.539 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.7 t -111.64 4.67 8.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -125.25 11.46 8.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 118.494 0.588 . . . . 0.0 112.091 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.62 176.13 54.22 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.993 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -94.52 98.62 10.97 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.717 0.294 . . . . 0.0 110.348 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.56 ' CH2' HG12 ' B' ' 30' ' ' VAL . 10.7 m95 -94.36 115.17 27.35 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.7 p -109.31 136.81 48.15 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.492 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 8.3 t80 -110.73 144.46 39.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 111.534 -178.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -123.22 82.42 2.0 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.696 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.437 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 14.7 m-20 -45.9 -35.22 4.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.796 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.69 -33.34 15.56 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.9 p -128.11 16.5 6.72 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm 48.18 36.16 6.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.916 0.389 . . . . 0.0 110.597 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.488 HG21 ' NZ ' ' B' ' 4' ' ' LYS . 93.9 m -127.24 140.13 52.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.594 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.492 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 6.3 m-85 -105.42 144.38 32.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.495 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.502 HG22 ' HB ' ' B' ' 6' ' ' ILE . 2.8 p -116.04 125.01 51.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.094 0.474 . . . . 0.0 110.75 178.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.403 HG12 ' OD1' ' A' ' 37' ' ' ASN . 44.6 t -108.37 111.69 37.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.325 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.632 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 23.2 m -102.03 113.96 27.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.745 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.491 ' HG2' ' HA2' ' B' ' 9' ' ' GLY . 19.1 pt-20 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.713 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.402 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 27.7 ttt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.869 0.366 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.402 ' N ' ' HG2' ' B' ' 1' ' ' MET . 8.2 tt0 -105.84 144.03 33.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.371 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -132.44 148.54 52.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.488 ' NZ ' HG21 ' A' ' 51' ' ' THR . 28.9 ttpp -107.04 155.17 20.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.918 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.846 ' HB ' HG23 ' B' ' 16' ' ' THR . 55.3 t -137.27 128.15 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.246 0.546 . . . . 0.0 111.377 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.502 ' HB ' HG22 ' A' ' 53' ' ' THR . 70.9 mt -94.9 113.93 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.24 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mt -94.37 85.26 4.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.632 ' O ' ' HA ' ' A' ' 55' ' ' THR . 30.9 t-20 -95.18 106.88 18.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.5 -177.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.491 ' HA2' ' HG2' ' A' ' 56' ' ' GLU . . . -115.19 -170.34 16.24 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.278 -0.963 . . . . 0.0 112.354 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' B' ' 10' ' ' LYS . 5.4 mtpm? -76.23 -56.31 4.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.002 0.43 . . . . 0.0 110.403 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.454 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 4.1 p -107.2 6.69 28.93 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.2 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 1.018 HD13 ' HB ' ' A' ' 18' ' ' THR . 23.1 tp -138.24 138.6 38.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.145 0.498 . . . . 0.0 111.515 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.505 ' H ' HD12 ' B' ' 12' ' ' LEU . 10.4 mtmp? -145.3 146.08 31.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.391 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 177.37 -166.41 36.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.175 -1.012 . . . . 0.0 113.201 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -146.84 156.6 43.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 0.0 110.628 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.846 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.1 OUTLIER -151.05 169.2 22.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.976 -179.551 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.455 ' O ' HD12 ' A' ' 12' ' ' LEU . 55.0 p -143.09 118.36 10.2 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 1.014 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.9 t -109.15 145.94 34.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.569 178.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -105.77 115.66 30.61 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.728 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -145.32 149.04 34.11 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 121.144 0.497 . . . . 0.0 111.77 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.3 t -50.94 -25.64 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.981 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.501 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -156.19 176.49 12.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.926 0.393 . . . . 0.0 111.336 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.73 95.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.469 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 -54.69 37.35 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.844 ' O ' HG23 ' B' ' 29' ' ' VAL . 57.3 p -50.94 -45.54 60.62 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.651 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.65 -53.6 56.17 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.176 177.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.23 -47.61 62.32 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.693 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.67 -45.15 94.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.566 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.844 HG23 ' O ' ' B' ' 25' ' ' THR . 86.5 t -59.08 -40.07 79.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.401 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.651 HG23 ' O ' ' B' ' 26' ' ' ALA . 58.2 t -64.83 -48.06 85.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.51 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 9.6 mtpm? -48.82 -51.3 30.17 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.086 0.469 . . . . 0.0 110.294 178.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.449 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 7.6 tt0 -60.26 -37.46 80.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.79 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.916 ' CG ' HD23 ' A' ' 12' ' ' LEU . 66.5 t80 -52.05 -55.73 18.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.788 178.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -72.18 -36.13 69.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.807 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.534 ' ND2' HG21 ' A' ' 39' ' ' VAL . 29.1 t-20 -50.0 -41.37 46.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.637 178.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -94.72 -22.82 17.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.737 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.497 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.8 m-20 -80.56 -46.63 15.43 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.108 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.89 -117.16 0.0 OUTLIER Glycine 0 C--N 1.334 0.462 0 CA-C-N 114.995 -1.002 . . . . 0.0 115.591 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.7 t -111.55 4.65 8.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -176.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -125.29 11.47 8.11 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.799 -0.563 . . . . 0.0 112.006 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.6 176.02 54.24 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 120.493 -0.861 . . . . 0.0 113.019 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -94.43 98.6 10.99 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.748 0.309 . . . . 0.0 110.321 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.558 ' CH2' HG12 ' A' ' 30' ' ' VAL . 10.7 m95 -94.4 115.16 27.32 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.414 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 62.8 p -109.25 136.77 48.17 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.493 ' CD1' ' CD2' ' B' ' 52' ' ' PHE . 8.2 t80 -110.71 144.51 39.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 111.531 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -123.24 82.39 1.99 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.735 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.439 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 14.8 m-20 -45.88 -35.33 4.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.721 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.65 -33.28 15.14 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -128.12 16.41 6.71 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm 48.27 36.16 6.51 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.919 0.39 . . . . 0.0 110.611 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.496 HG21 ' NZ ' ' A' ' 4' ' ' LYS . 93.9 m -127.17 140.16 52.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.54 -179.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.493 ' CD2' ' CD1' ' B' ' 45' ' ' TYR . 6.4 m-85 -105.47 144.49 32.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.47 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.494 HG22 ' HB ' ' A' ' 6' ' ' ILE . 2.8 p -116.15 124.96 51.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.056 0.455 . . . . 0.0 110.769 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.406 HG12 ' OD1' ' B' ' 37' ' ' ASN . 44.5 t -108.22 111.77 37.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.255 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.628 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 22.9 m -102.04 113.93 27.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.773 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.488 ' HG2' ' HA2' ' A' ' 9' ' ' GLY . 19.2 pt-20 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.834 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 N--CA 1.461 0.107 0 CA-C-O 120.88 0.371 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 3' ' ' TYR . 1.3 m-85 -122.31 145.63 48.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.515 ' O ' ' HA ' ' B' ' 51' ' ' THR . 24.3 ttmm -110.97 107.65 17.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 111.455 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.822 ' HB ' HG23 ' A' ' 16' ' ' THR . 98.5 t -94.04 117.6 38.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.232 0.539 . . . . 0.0 110.585 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.773 HG22 ' OD1' ' A' ' 8' ' ' ASN . 65.4 mt -94.42 130.0 43.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.36 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.426 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.1 mt -107.99 92.26 3.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.431 -178.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.773 ' OD1' HG22 ' A' ' 6' ' ' ILE . 6.0 m120 -97.21 106.67 19.03 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.907 -179.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.87 -171.18 18.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.297 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.469 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.5 mtmp? -76.64 -55.5 5.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.904 0.383 . . . . 0.0 110.77 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.486 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 3.2 p -107.62 6.53 27.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.187 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.9 HD23 ' CG ' ' B' ' 33' ' ' PHE . 19.0 tp -138.36 138.68 38.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.095 0.474 . . . . 0.0 110.724 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.55 ' H ' HD12 ' A' ' 12' ' ' LEU . 95.2 mttt -145.0 144.06 30.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.239 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.67 -168.24 37.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 119.982 -1.104 . . . . 0.0 113.373 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -150.17 143.08 24.8 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.341 0.591 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.822 HG23 ' HB ' ' A' ' 5' ' ' VAL . 4.0 t -136.02 169.08 18.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.773 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.408 ' O ' HD12 ' B' ' 12' ' ' LEU . 76.9 p -142.96 119.24 10.85 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.862 ' HB ' HD13 ' B' ' 12' ' ' LEU . 14.3 t -109.68 144.44 38.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.577 178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -106.82 113.84 27.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.608 0.242 . . . . 0.0 110.441 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.705 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -146.21 152.75 39.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.21 0.529 . . . . 0.0 112.053 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.414 HG23 ' H ' ' A' ' 21' ' ' VAL . 17.1 t -50.59 -36.38 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.893 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.456 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 4.0 p-10 -142.55 166.92 23.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.2 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.532 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -57.1 -41.59 79.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.54 -54.81 30.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.89 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.907 ' O ' HG23 ' A' ' 29' ' ' VAL . 20.6 p -52.89 -44.03 66.6 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.705 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -61.38 -50.75 71.62 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.49 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 89.3 tt0 -54.99 -48.71 72.95 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.932 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -58.52 -39.35 79.89 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.353 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 25' ' ' THR . 97.2 t -59.95 -37.05 70.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.164 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.682 HG21 HG21 ' A' ' 5' ' ' VAL . 15.3 t -65.51 -47.88 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.419 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -47.96 -44.1 29.97 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.144 0.497 . . . . 0.0 109.911 178.778 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.411 ' NE2' ' C ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -65.66 -37.0 85.3 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.461 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.906 ' CG ' HD23 ' B' ' 12' ' ' LEU . 60.8 t80 -55.8 -58.11 9.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.238 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.494 ' CE2' HG12 ' A' ' 30' ' ' VAL . 28.1 m-85 -72.51 -41.71 65.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.157 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -49.42 -38.32 28.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.492 0.663 . . . . 0.0 109.705 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.459 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 38.6 m-20 -94.62 -24.67 17.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.918 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.476 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.4 m-20 -78.37 -46.73 19.26 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -1.61 -121.28 0.0 OUTLIER Glycine 0 CA--C 1.519 0.339 0 CA-C-N 114.494 -1.23 . . . . 0.0 116.047 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.2 t -89.48 -43.79 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 115.899 1.815 . . . . 0.0 115.899 -175.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -99.37 28.67 4.4 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -177.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.63 169.83 54.13 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 119.926 -1.131 . . . . 0.0 111.74 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -91.06 95.74 10.25 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.887 0.343 . . . . 0.0 110.17 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.551 ' HH2' HG12 ' B' ' 30' ' ' VAL . 6.8 m0 -97.78 119.59 36.65 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.6 p -106.42 133.94 50.33 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 17.4 t80 -106.35 143.15 34.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.98 0.419 . . . . 0.0 111.828 -178.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.7 t0 -123.61 81.13 1.87 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.498 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.24 -35.46 7.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.502 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.496 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.23 -34.21 22.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.027 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.7 p -128.18 10.86 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.8 mttp 54.49 31.49 14.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.966 0.412 . . . . 0.0 110.567 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.56 HG21 ' CD1' ' B' ' 6' ' ' ILE . 95.9 m -105.0 148.7 26.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.352 -178.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.526 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 27.1 m-85 -122.58 96.23 4.95 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.296 0.57 . . . . 0.0 111.827 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -78.11 124.73 28.39 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.255 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.6 t -113.14 111.79 37.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.204 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.595 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 25.2 m -101.33 116.3 32.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.279 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.459 ' HG2' ' HB2' ' A' ' 36' ' ' ASP . 3.7 tm-20 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.623 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.625 ' HG3' ' CE1' ' B' ' 3' ' ' TYR . 4.7 ppp? . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -97.83 125.79 42.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.847 0.356 . . . . 0.0 111.446 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.625 ' CE1' ' HG3' ' B' ' 1' ' ' MET . 1.3 m-85 -122.17 145.61 48.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.41 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 51' ' ' THR . 24.3 ttmm -110.96 107.73 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.735 0.302 . . . . 0.0 111.408 -179.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.821 ' HB ' HG23 ' B' ' 16' ' ' THR . 97.7 t -94.22 117.73 38.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.369 0.604 . . . . 0.0 110.495 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.767 HG22 ' OD1' ' B' ' 8' ' ' ASN . 66.0 mt -94.49 129.87 44.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.324 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.1 mt -107.86 92.25 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.441 -178.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.767 ' OD1' HG22 ' B' ' 6' ' ' ILE . 6.0 m120 -97.14 106.62 18.98 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.926 -179.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.88 -171.22 18.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.36 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.465 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.5 mtmp? -76.66 -55.45 5.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.828 0.347 . . . . 0.0 110.778 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.483 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 3.3 p -107.58 6.51 28.01 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.22 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.906 HD23 ' CG ' ' A' ' 33' ' ' PHE . 19.2 tp -138.43 138.66 38.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.009 0.433 . . . . 0.0 110.828 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.547 ' H ' HD12 ' B' ' 12' ' ' LEU . 95.2 mttt -144.95 144.04 30.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.159 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.67 -168.09 37.39 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.055 -1.069 . . . . 0.0 113.406 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -150.23 143.11 24.76 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.362 0.601 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.821 HG23 ' HB ' ' B' ' 5' ' ' VAL . 4.0 t -136.05 169.11 18.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.752 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' B' ' 3' ' ' TYR . 76.1 p -142.97 119.23 10.83 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.851 ' HB ' HD13 ' A' ' 12' ' ' LEU . 14.1 t -109.69 144.49 37.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.548 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -106.74 113.78 27.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.556 0.217 . . . . 0.0 110.537 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.711 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -146.25 152.77 39.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.249 0.547 . . . . 0.0 111.93 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 17.1 t -50.65 -36.4 14.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.902 -178.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.455 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 4.0 p-10 -142.45 166.93 23.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.249 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.526 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -57.0 -41.77 79.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.44 -54.8 30.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.967 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.908 ' O ' HG23 ' B' ' 29' ' ' VAL . 20.7 p -52.71 -44.15 66.13 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.711 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -61.48 -50.69 71.73 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.49 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 89.3 tt0 -55.03 -48.7 73.04 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.866 179.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -58.63 -39.32 80.19 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.431 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.908 HG23 ' O ' ' B' ' 25' ' ' THR . 97.6 t -60.04 -36.98 70.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.107 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.674 HG21 HG21 ' B' ' 5' ' ' VAL . 15.4 t -65.51 -47.89 84.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' B' ' 27' ' ' GLU . 1.0 OUTLIER -47.92 -44.21 29.72 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.051 0.453 . . . . 0.0 109.886 178.751 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.409 ' NE2' ' C ' ' B' ' 32' ' ' GLN . 0.0 OUTLIER -65.57 -37.0 85.4 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.421 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.9 ' CG ' HD23 ' A' ' 12' ' ' LEU . 61.0 t80 -55.89 -58.0 9.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.202 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.497 ' CE2' HG12 ' B' ' 30' ' ' VAL . 28.1 m-85 -72.58 -41.6 65.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.185 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -49.45 -38.3 29.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.573 0.701 . . . . 0.0 109.759 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.464 ' HB2' ' HG2' ' B' ' 56' ' ' GLU . 38.9 m-20 -94.64 -24.75 17.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.801 -1.09 . . . . 0.0 112.763 -179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.3 m-20 -78.44 -46.62 19.34 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -1.6 -121.36 0.0 OUTLIER Glycine 0 C--N 1.333 0.37 0 CA-C-N 114.52 -1.218 . . . . 0.0 116.016 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 63.6 t -89.44 -43.84 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -175.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -99.38 28.74 4.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.62 169.74 54.16 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.013 -1.089 . . . . 0.0 111.762 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -91.03 95.6 10.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 117.002 0.401 . . . . 0.0 110.26 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.559 ' HH2' HG12 ' A' ' 30' ' ' VAL . 6.8 m0 -97.69 119.66 36.67 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -178.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 53.0 p -106.52 134.07 50.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 17.4 t80 -106.41 143.26 34.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.025 0.44 . . . . 0.0 111.837 -178.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.491 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.6 t0 -123.6 81.12 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.484 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.24 -35.57 7.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.444 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.491 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.15 -34.19 21.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.05 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 74.7 p -128.22 10.93 6.38 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 mttp 54.56 31.42 14.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.028 0.442 . . . . 0.0 110.528 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.551 HG21 ' CD1' ' A' ' 6' ' ' ILE . 95.4 m -104.99 148.56 26.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.522 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.532 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 26.4 m-85 -122.53 96.11 4.9 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.314 0.578 . . . . 0.0 111.858 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -77.84 124.59 28.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.329 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.6 t -113.08 111.82 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.156 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 25.3 m -101.32 116.27 32.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.213 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.464 ' HG2' ' HB2' ' B' ' 36' ' ' ASP . 3.7 tm-20 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.651 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 N--CA 1.455 -0.203 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -122.09 141.34 51.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.567 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.757 ' O ' HG23 ' B' ' 51' ' ' THR . 61.1 tttm -104.86 108.28 19.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.658 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.673 ' HB ' HG23 ' A' ' 16' ' ' THR . 60.7 t -95.05 136.45 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.206 0.526 . . . . 0.0 110.589 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.8 HG22 ' OD1' ' A' ' 8' ' ' ASN . 78.6 mt -110.95 128.34 67.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.278 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 mt -108.26 101.16 10.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.953 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.8 ' OD1' HG22 ' A' ' 6' ' ' ILE . 5.8 m120 -106.74 105.84 16.07 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.851 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.66 -167.63 19.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.532 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.468 ' N ' ' HE3' ' A' ' 10' ' ' LYS . 0.9 OUTLIER -71.32 -55.09 8.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.657 0.265 . . . . 0.0 111.168 -179.767 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.612 ' OG1' HG13 ' B' ' 29' ' ' VAL . 4.8 p -117.96 16.83 14.24 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.408 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.956 HD13 ' HB ' ' B' ' 18' ' ' THR . 26.9 tp -141.55 139.39 33.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.102 0.477 . . . . 0.0 111.29 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.51 ' H ' HD12 ' A' ' 12' ' ' LEU . 97.1 mttt -145.33 147.87 32.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.284 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.67 -176.0 43.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.004 -1.093 . . . . 0.0 113.751 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -136.27 135.16 38.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.824 0.345 . . . . 0.0 110.256 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.772 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -134.25 166.25 23.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.038 -179.7 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.475 HG22 ' HA ' ' A' ' 4' ' ' LYS . 46.7 p -143.46 121.36 12.01 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.971 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.3 t -108.58 142.22 39.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.329 178.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.4 ' OE1' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -105.85 110.38 22.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.624 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -142.55 152.96 43.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.223 0.535 . . . . 0.0 112.107 -179.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.0 t -50.86 -37.16 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.844 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.684 ' OD1' HG23 ' A' ' 25' ' ' THR . 59.2 p30 -146.4 167.92 22.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.687 0.28 . . . . 0.0 111.111 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.95 -40.46 63.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.623 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.81 -55.13 29.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.202 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.814 ' O ' HG23 ' A' ' 29' ' ' VAL . 45.7 p -52.94 -45.26 67.6 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -60.04 -53.08 62.07 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.474 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 5.1 tp10 -51.49 -49.91 60.92 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.839 179.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 4.3 mmmp? -59.16 -41.02 87.36 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.67 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 25' ' ' THR . 73.8 t -54.26 -40.96 49.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.328 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.643 HG12 ' CH2' ' B' ' 43' ' ' TRP . 39.4 t -64.53 -46.75 91.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.474 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -49.63 -45.65 48.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.79 0.329 . . . . 0.0 110.658 178.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -69.12 -38.72 79.03 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.8 ' CG ' HD23 ' B' ' 12' ' ' LEU . 61.0 t80 -54.14 -55.78 24.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.718 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.499 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 25.6 m-85 -75.84 -39.04 57.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.592 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -50.9 -39.03 53.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.324 0.583 . . . . 0.0 110.001 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.468 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 34.2 m-20 -94.66 -26.5 16.3 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.073 -0.967 . . . . 0.0 113.388 -179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.507 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 90.0 m-20 -75.68 -40.48 55.84 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.439 -0.504 . . . . 0.0 109.892 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.94 -119.91 0.0 OUTLIER Glycine 0 CA--C 1.521 0.453 0 CA-C-N 114.463 -1.244 . . . . 0.0 115.909 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.2 t -84.81 -55.51 6.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 -175.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -90.1 27.55 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -176.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.09 146.41 49.06 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 119.926 -1.131 . . . . 0.0 112.238 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.19 93.19 2.29 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.741 0.305 . . . . 0.0 110.225 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.643 ' CH2' HG12 ' B' ' 30' ' ' VAL . 10.3 m0 -105.69 128.9 53.94 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.0 p -110.3 140.08 44.84 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.434 ' CD2' ' OD1' ' A' ' 47' ' ' ASP . 5.9 t80 -109.89 142.03 41.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 0.0 111.777 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -123.63 81.97 1.96 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.644 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.434 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 13.6 m-20 -46.46 -35.15 5.34 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.554 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.02 -31.19 12.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.128 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.9 p -128.03 15.12 6.83 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HE2' ' HE3' ' B' ' 1' ' ' MET . 2.6 mtmp? 47.54 38.96 8.74 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.089 0.471 . . . . 0.0 110.657 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.758 HG23 ' O ' ' B' ' 4' ' ' LYS . 88.0 m -125.33 144.44 50.49 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.643 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.458 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.5 m-85 -113.43 145.82 40.53 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.052 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -121.45 127.39 51.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.965 0.412 . . . . 0.0 111.024 178.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.64 HG13 ' NE1' ' A' ' 43' ' ' TRP . 45.3 t -107.64 113.31 43.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.463 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.597 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 23.5 m -101.26 109.32 21.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 111.413 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.468 ' HG2' ' HB2' ' A' ' 36' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.54 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.639 ' HA ' ' HE2' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.86 0.362 . . . . 0.0 110.562 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -99.32 139.07 35.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.099 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -121.81 141.49 51.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.642 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.758 ' O ' HG23 ' A' ' 51' ' ' THR . 61.0 tttm -104.93 108.22 19.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.677 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.679 ' HB ' HG23 ' B' ' 16' ' ' THR . 60.3 t -95.07 136.46 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 121.185 0.516 . . . . 0.0 110.583 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.806 HG22 ' OD1' ' B' ' 8' ' ' ASN . 79.4 mt -110.91 128.27 67.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.35 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 mt -108.33 101.27 10.48 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.944 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.806 ' OD1' HG22 ' B' ' 6' ' ' ILE . 5.8 m120 -106.65 105.86 16.1 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.839 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.71 -167.57 19.19 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.467 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.466 ' HE3' ' N ' ' B' ' 10' ' ' LYS . 0.9 OUTLIER -71.21 -55.11 8.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.707 0.289 . . . . 0.0 111.26 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.612 ' OG1' HG13 ' A' ' 29' ' ' VAL . 4.7 p -118.03 16.77 14.18 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.282 -179.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.971 HD13 ' HB ' ' A' ' 18' ' ' THR . 26.7 tp -141.59 139.42 33.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.027 0.441 . . . . 0.0 111.276 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.507 ' H ' HD12 ' B' ' 12' ' ' LEU . 97.0 mttt -145.31 147.83 32.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.304 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.71 -176.1 43.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 119.892 -1.147 . . . . 0.0 113.602 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -136.14 135.14 38.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.923 0.392 . . . . 0.0 110.279 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.764 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -134.17 166.23 23.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.04 -179.772 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.475 HG22 ' HA ' ' B' ' 4' ' ' LYS . 47.1 p -143.44 121.24 11.93 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.956 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.2 t -108.42 142.23 39.09 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.343 178.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' B' ' 20' ' ' ALA . 0.0 OUTLIER -105.91 110.4 22.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.622 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -142.57 153.01 43.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.19 0.519 . . . . 0.0 112.059 -179.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.0 t -50.87 -37.35 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.938 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.679 ' OD1' HG23 ' B' ' 25' ' ' THR . 59.3 p30 -146.19 167.84 22.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.789 0.328 . . . . 0.0 111.051 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.93 -40.39 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.574 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.86 -55.06 29.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.168 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.816 ' O ' HG23 ' B' ' 29' ' ' VAL . 45.5 p -53.06 -45.19 67.97 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -59.97 -53.18 60.82 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.474 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 5.1 tp10 -51.5 -49.78 61.2 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.933 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.46 ' NZ ' ' HB3' ' B' ' 28' ' ' LYS . 4.2 mmmp? -59.16 -41.03 87.42 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.768 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.816 HG23 ' O ' ' B' ' 25' ' ' THR . 72.5 t -54.26 -40.98 50.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.339 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.643 HG12 ' CH2' ' A' ' 43' ' ' TRP . 39.4 t -64.45 -46.77 91.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.544 179.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' B' ' 27' ' ' GLU . 1.0 OUTLIER -49.49 -45.76 47.37 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-O 120.873 0.368 . . . . 0.0 110.672 178.857 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -69.09 -38.87 79.21 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.792 ' CG ' HD23 ' A' ' 12' ' ' LEU . 60.9 t80 -54.02 -55.75 24.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.755 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.5 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 25.5 m-85 -75.91 -39.09 56.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.525 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -50.74 -39.08 51.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.393 0.616 . . . . 0.0 110.003 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.458 ' HB2' ' HG2' ' B' ' 56' ' ' GLU . 34.0 m-20 -94.65 -26.56 16.29 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.055 -0.975 . . . . 0.0 113.365 -178.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.507 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 90.1 m-20 -75.75 -40.4 55.49 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 120.374 -0.53 . . . . 0.0 109.902 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.02 -119.81 0.0 OUTLIER Glycine 0 C--N 1.333 0.369 0 CA-C-N 114.636 -1.166 . . . . 0.0 115.989 179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -84.9 -55.54 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -175.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -90.03 27.38 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -176.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.95 146.37 49.15 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 119.958 -1.115 . . . . 0.0 112.148 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.13 93.14 2.26 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.643 ' CH2' HG12 ' A' ' 30' ' ' VAL . 10.4 m0 -105.67 129.06 53.97 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -178.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 77.8 p -110.37 140.17 44.84 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.43 ' CD2' ' OD1' ' B' ' 47' ' ' ASP . 5.9 t80 -109.95 141.83 42.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 111.781 -178.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.49 81.87 1.94 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.745 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.43 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 13.6 m-20 -46.38 -35.31 5.35 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.524 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.9 -31.26 11.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.283 -179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 73.9 p -127.99 15.34 6.84 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? 47.21 39.27 8.16 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.041 0.448 . . . . 0.0 110.71 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 4' ' ' LYS . 87.0 m -125.35 144.36 50.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.661 -179.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' B' ' 52' ' ' PHE . 1.5 m-85 -113.43 145.83 40.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.043 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -121.5 127.45 51.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.958 0.409 . . . . 0.0 110.973 178.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.64 HG13 ' CD1' ' B' ' 43' ' ' TRP . 45.3 t -107.61 113.24 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.524 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.606 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 24.0 m -101.25 109.33 21.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 0.0 111.242 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.458 ' HG2' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.597 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 . . . . . 0 N--CA 1.457 -0.121 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CD2' ' HB3' ' B' ' 50' ' ' LYS . 70.8 m-85 -115.46 143.93 44.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.832 0.348 . . . . 0.0 110.797 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.505 ' O ' ' HA ' ' B' ' 51' ' ' THR . 63.1 tttp -103.26 105.91 16.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.512 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.622 ' HB ' HG23 ' A' ' 16' ' ' THR . 90.3 t -94.62 112.82 27.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.3 0.571 . . . . 0.0 110.767 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.712 HG22 ' OD1' ' A' ' 8' ' ' ASN . 47.9 mt -94.94 127.87 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.786 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.435 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.9 mt -108.94 101.43 10.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.154 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.712 ' OD1' HG22 ' A' ' 6' ' ' ILE . 3.9 m120 -105.06 108.89 20.65 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.472 ' CA ' ' HB2' ' B' ' 56' ' ' GLU . . . -114.88 -176.21 18.72 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.7 178.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 12.6 mptt -76.54 -50.43 13.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.08 0.467 . . . . 0.0 110.322 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.537 ' OG1' HG13 ' B' ' 29' ' ' VAL . 10.4 p -106.21 1.77 26.34 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.497 -179.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.948 HD23 ' CG ' ' B' ' 33' ' ' PHE . 19.2 tp -137.0 137.56 39.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.279 0.561 . . . . 0.0 111.543 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.521 ' H ' HD12 ' A' ' 12' ' ' LEU . 2.0 mppt? -143.51 143.12 31.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.764 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.48 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -174.03 -177.33 43.12 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 119.817 -1.182 . . . . 0.0 113.393 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -140.09 136.02 33.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.495 -0.353 . . . . 0.0 110.197 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.765 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -135.33 165.26 25.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.757 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.3 p -143.37 119.15 10.51 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.94 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.6 t -106.95 145.91 31.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.359 178.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -106.58 111.2 23.64 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.723 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -142.37 152.13 42.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.203 0.525 . . . . 0.0 111.909 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.8 t -50.86 -29.63 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.889 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.637 ' OD1' HG23 ' A' ' 25' ' ' THR . 57.7 p30 -154.1 178.03 10.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.918 0.39 . . . . 0.0 111.391 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.99 94.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.729 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.83 -54.21 45.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.311 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.807 ' O ' HG23 ' A' ' 29' ' ' VAL . 41.4 p -51.11 -45.14 61.44 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.74 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.01 -53.86 52.84 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -52.29 -47.92 65.63 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.769 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -59.62 -43.89 93.65 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.073 0.463 . . . . 0.0 109.906 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 25' ' ' THR . 83.1 t -60.62 -38.11 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.476 179.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 26' ' ' ALA . 15.6 t -67.61 -49.85 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.535 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 27.9 mmtm -46.15 -51.79 13.44 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 121.158 0.504 . . . . 0.0 109.836 178.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.515 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -62.01 -35.36 78.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.725 179.084 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.951 ' CG ' HD23 ' B' ' 12' ' ' LEU . 49.8 t80 -56.19 -61.39 2.42 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.232 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.426 ' CE2' HG12 ' A' ' 30' ' ' VAL . 26.8 m-85 -69.42 -39.63 77.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.823 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.532 ' ND2' HG21 ' B' ' 39' ' ' VAL . 32.5 t-20 -49.58 -38.99 33.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.516 0.674 . . . . 0.0 109.797 178.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.7 -23.03 17.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.587 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.474 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.0 m-20 -79.92 -46.6 16.46 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.961 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.08 -118.2 0.0 OUTLIER Glycine 0 CA--C 1.521 0.441 0 CA-C-N 114.949 -1.023 . . . . 0.0 115.51 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.674 HG12 ' O ' ' A' ' 39' ' ' VAL . 26.3 t -111.91 5.04 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -176.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -123.63 12.33 9.25 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.763 -0.585 . . . . 0.0 112.152 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.99 177.98 53.19 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.849 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -97.51 100.38 11.8 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.589 ' HH2' HG12 ' B' ' 30' ' ' VAL . 9.7 m95 -97.18 120.26 37.21 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.8 p -110.16 136.92 48.64 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.504 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 22.8 t80 -111.56 146.98 36.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.155 0.503 . . . . 0.0 112.268 -178.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -123.56 81.61 1.92 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.135 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.91 -36.09 7.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.187 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.11 -37.08 32.36 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.3 p -128.83 12.25 6.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.733 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.583 ' HG2' ' HE1' ' B' ' 1' ' ' MET . 3.5 mppt? 54.75 29.04 11.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.011 0.434 . . . . 0.0 110.345 -178.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.517 HG23 HG13 ' B' ' 6' ' ' ILE . 88.1 m -97.78 134.4 40.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.604 -179.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 25.7 m-85 -112.14 128.54 56.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.999 179.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -110.08 92.69 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.326 0.584 . . . . 0.0 111.649 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 51.4 t -82.99 118.48 30.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.452 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 m -85.23 160.78 19.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.246 0.546 . . . . 0.0 111.962 -178.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.474 ' HB2' ' CA ' ' B' ' 9' ' ' GLY . 45.9 tt0 . . . . . 0 C--O 1.249 1.065 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.871 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.583 ' HE1' ' HG2' ' A' ' 50' ' ' LYS . 5.6 ttp . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.818 0.342 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -99.05 132.22 44.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.055 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.482 ' CE2' ' HE1' ' B' ' 1' ' ' MET . 71.0 m-85 -115.45 144.1 44.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.329 . . . . 0.0 110.796 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 51' ' ' THR . 63.2 tttp -103.36 105.79 16.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.538 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.621 ' HB ' HG23 ' B' ' 16' ' ' THR . 88.6 t -94.61 112.81 27.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.376 0.608 . . . . 0.0 110.804 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.715 HG22 ' OD1' ' B' ' 8' ' ' ASN . 47.8 mt -95.0 127.88 46.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.721 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.9 mt -109.0 101.45 10.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.063 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.715 ' OD1' HG22 ' B' ' 6' ' ' ILE . 3.9 m120 -105.08 108.91 20.68 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.474 ' CA ' ' HB2' ' A' ' 56' ' ' GLU . . . -114.89 -176.26 18.72 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.451 -0.88 . . . . 0.0 111.692 178.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' B' ' 10' ' ' LYS . 12.6 mptt -76.56 -50.35 14.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.049 0.452 . . . . 0.0 110.332 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.542 ' OG1' HG13 ' A' ' 29' ' ' VAL . 10.4 p -106.16 1.64 26.36 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.46 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.951 HD23 ' CG ' ' A' ' 33' ' ' PHE . 19.1 tp -136.91 137.4 39.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.228 0.537 . . . . 0.0 111.597 -179.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.521 ' H ' HD12 ' B' ' 12' ' ' LEU . 2.0 mppt? -143.37 143.1 31.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.779 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -174.0 -177.36 43.12 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 119.906 -1.14 . . . . 0.0 113.517 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -140.05 135.89 33.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.289 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.754 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -135.16 165.39 25.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.735 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 64.0 p -143.52 119.1 10.38 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -178.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.93 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.7 t -106.95 145.81 31.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.376 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -106.53 111.23 23.69 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.717 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -142.41 152.2 42.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.28 0.562 . . . . 0.0 111.877 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.9 t -50.9 -29.6 7.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.833 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.64 ' OD1' HG23 ' B' ' 25' ' ' THR . 57.6 p30 -154.1 178.01 10.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.869 0.366 . . . . 0.0 111.489 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.0 94.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.714 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.83 -54.34 43.53 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.808 ' O ' HG23 ' B' ' 29' ' ' VAL . 41.4 p -50.99 -45.16 60.99 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.742 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.92 -54.02 51.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -52.27 -47.9 65.58 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.7 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -59.65 -43.91 93.74 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.064 0.459 . . . . 0.0 109.908 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.808 HG23 ' O ' ' B' ' 25' ' ' THR . 83.2 t -60.57 -38.16 77.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.499 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.742 HG23 ' O ' ' B' ' 26' ' ' ALA . 15.7 t -67.58 -49.84 66.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.537 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 27.9 mmtm -46.1 -51.88 13.09 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.335 0.588 . . . . 0.0 109.87 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.517 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -62.0 -35.38 78.37 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.716 179.14 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.948 ' CG ' HD23 ' A' ' 12' ' ' LEU . 50.1 t80 -56.18 -61.37 2.44 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.243 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.419 ' CE2' HG12 ' B' ' 30' ' ' VAL . 26.8 m-85 -69.44 -39.65 77.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.801 179.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.526 ' ND2' HG21 ' A' ' 39' ' ' VAL . 32.6 t-20 -49.62 -38.99 34.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.45 0.643 . . . . 0.0 109.818 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.68 -22.98 17.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.517 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.478 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.0 m-20 -79.96 -46.63 16.34 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.902 179.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.11 -118.12 0.0 OUTLIER Glycine 0 C--N 1.333 0.396 0 CA-C-N 114.887 -1.051 . . . . 0.0 115.539 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.674 HG12 ' O ' ' B' ' 39' ' ' VAL . 25.9 t -111.9 5.01 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -176.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -123.65 12.3 9.23 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.764 -0.585 . . . . 0.0 112.111 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.07 177.89 53.11 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.415 -0.897 . . . . 0.0 112.855 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -97.44 100.52 11.95 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.601 ' HH2' HG12 ' A' ' 30' ' ' VAL . 9.7 m95 -97.18 120.25 37.18 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 38.8 p -110.1 136.96 48.53 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.508 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 22.8 t80 -111.64 147.05 36.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.152 0.501 . . . . 0.0 112.131 -178.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -123.61 81.46 1.9 Allowed 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.165 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.9 -36.12 7.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.111 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.92 -37.22 30.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.3 p -128.78 12.17 6.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.754 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.433 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 3.5 mppt? 54.88 29.05 11.34 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.865 0.364 . . . . 0.0 110.23 -178.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.521 HG23 HG13 ' A' ' 6' ' ' ILE . 87.5 m -97.9 134.33 41.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.487 -178.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.508 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 25.5 m-85 -112.01 128.55 56.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.042 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -110.17 92.74 4.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.44 0.638 . . . . 0.0 111.62 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 51.7 t -83.02 118.49 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.47 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 7.4 m -85.32 160.81 19.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.365 0.603 . . . . 0.0 111.856 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.472 ' HB2' ' CA ' ' A' ' 9' ' ' GLY . 45.8 tt0 . . . . . 0 C--O 1.247 0.944 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.976 179.443 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 N--CA 1.457 -0.121 0 CA-C-O 120.72 0.295 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.485 ' HE2' ' HB2' ' A' ' 23' ' ' ALA . 10.2 m-85 -128.06 146.86 50.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.73 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.823 ' O ' HG23 ' B' ' 51' ' ' THR . 62.8 tttp -103.85 109.18 20.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.675 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.741 ' HB ' HG23 ' A' ' 16' ' ' THR . 57.4 t -94.61 131.45 41.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.462 179.861 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.426 ' CD1' HG21 ' B' ' 51' ' ' THR . 70.7 mt -104.7 116.14 47.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.26 -179.529 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.946 HD21 ' CZ ' ' A' ' 34' ' ' PHE . 63.1 mt -94.53 83.44 4.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.434 179.272 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.565 ' O ' ' HA ' ' B' ' 55' ' ' THR . 34.7 t-20 -94.93 107.77 19.8 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.799 -177.717 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.83 -170.69 15.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.184 179.165 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -82.81 -55.15 4.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.261 0.553 . . . . 0.0 110.046 179.469 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.422 ' HB ' HG11 ' B' ' 29' ' ' VAL . 5.6 p -100.12 -2.12 34.99 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.007 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.923 HD13 ' HB ' ' B' ' 18' ' ' THR . 16.7 tp -131.76 132.71 44.04 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.085 0.469 . . . . 0.0 111.37 -179.355 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.431 ' H ' HD12 ' A' ' 12' ' ' LEU . 29.7 mmmt -131.75 128.33 38.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.747 -179.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.454 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -166.49 175.92 41.78 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 119.626 -1.273 . . . . 0.0 113.82 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -140.19 140.46 35.88 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 179.36 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.774 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -137.62 167.42 21.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 -179.407 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.573 HG22 ' HA ' ' A' ' 4' ' ' LYS . 71.3 p -143.89 119.73 10.58 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.915 ' HB ' HD13 ' B' ' 12' ' ' LEU . 9.9 t -106.56 145.03 32.38 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.551 178.393 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -105.75 117.08 33.09 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.574 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.14 153.71 38.11 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.278 0.561 . . . . 0.0 112.167 -179.267 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.0 t -50.63 -28.1 5.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.167 -178.737 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.68 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -155.17 171.24 20.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.709 0.29 . . . . 0.0 111.292 179.384 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.523 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -57.56 -41.79 81.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.464 -179.316 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.66 -54.36 36.95 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.437 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.916 ' O ' HG23 ' A' ' 29' ' ' VAL . 76.2 p -52.19 -45.74 65.28 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.498 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.606 ' HB1' HG23 ' A' ' 18' ' ' THR . . . -60.73 -51.69 68.28 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.398 178.137 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 8.5 tm-20 -53.34 -46.06 69.36 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.418 178.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -62.04 -43.3 99.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.262 179.354 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 25' ' ' THR . 86.6 t -58.13 -40.42 77.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.235 179.518 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.626 HG12 ' CH2' ' B' ' 43' ' ' TRP . 65.4 t -61.89 -45.94 97.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.58 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.496 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 2.1 mmmp? -48.34 -52.36 21.97 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.244 0.545 . . . . 0.0 110.111 179.077 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.406 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 3.7 tp-100 -57.7 -38.12 74.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.783 179.492 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.886 ' CG ' HD23 ' B' ' 12' ' ' LEU . 37.7 t80 -52.86 -65.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.06 179.447 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.946 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 27.5 m-85 -66.07 -38.1 87.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.47 179.434 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.421 ' ND2' ' CG2' ' B' ' 39' ' ' VAL . 33.4 t-20 -50.5 -39.93 49.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.468 0.651 . . . . 0.0 110.136 178.693 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -94.74 -22.94 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.907 -1.042 . . . . 0.0 112.462 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.0 m-20 -78.41 -46.03 20.86 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.193 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -3.84 -118.57 0.0 OUTLIER Glycine 0 CA--C 1.518 0.255 0 CA-C-N 114.587 -1.188 . . . . 0.0 115.687 179.711 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 39' ' ' VAL . 26.3 t -104.91 -1.3 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -175.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -125.41 16.72 8.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 119.285 0.948 . . . . 0.0 112.167 -179.576 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.3 165.06 53.8 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.23 -179.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -92.01 100.14 12.84 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.857 0.361 . . . . 0.0 110.036 179.432 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.632 ' CH2' HG12 ' B' ' 30' ' ' VAL . 9.4 m0 -101.92 122.88 44.86 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -178.277 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.467 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 76.8 p -111.36 140.32 46.04 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.119 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.518 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 7.2 t80 -111.74 142.57 43.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 111.59 -178.864 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -123.18 82.96 2.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.657 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.437 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 54.3 m-20 -45.89 -34.59 3.96 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.502 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.82 -31.87 12.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.126 -178.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.2 p -128.07 16.32 6.74 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt 48.26 38.15 9.7 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.83 HG23 ' O ' ' B' ' 4' ' ' LYS . 83.4 m -127.6 141.57 51.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.084 0.469 . . . . 0.0 112.137 -178.466 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.521 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 87.1 m-85 -106.61 144.12 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.647 178.66 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.467 ' HG1' ' HG1' ' A' ' 44' ' ' THR . 3.3 p -120.92 124.92 46.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.193 0.521 . . . . 0.0 111.88 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.9 t -104.93 110.76 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.096 178.429 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.571 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 12.4 m -102.29 115.15 29.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.071 0.463 . . . . 0.0 112.164 -178.35 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.061 179.644 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.941 0.4 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -106.91 143.8 34.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.416 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.487 ' HE2' ' HB2' ' B' ' 23' ' ' ALA . 9.9 m-85 -127.95 146.86 50.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.793 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.83 ' O ' HG23 ' A' ' 51' ' ' THR . 62.9 tttp -103.75 109.12 20.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.664 -179.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.738 ' HB ' HG23 ' B' ' 16' ' ' THR . 56.8 t -94.63 131.39 41.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.515 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.432 ' CD1' HG21 ' A' ' 51' ' ' THR . 70.8 mt -104.63 116.15 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.109 0.48 . . . . 0.0 111.317 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.945 HD21 ' CZ ' ' B' ' 34' ' ' PHE . 63.1 mt -94.48 83.34 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.431 179.287 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.571 ' O ' ' HA ' ' A' ' 55' ' ' THR . 34.6 t-20 -94.9 107.81 19.85 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.779 -177.738 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.85 -170.64 15.52 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.194 179.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -82.87 -55.08 4.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.241 0.543 . . . . 0.0 110.144 179.456 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.422 ' HB ' HG11 ' A' ' 29' ' ' VAL . 5.7 p -100.16 -1.96 35.28 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.039 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.915 HD13 ' HB ' ' A' ' 18' ' ' THR . 16.8 tp -131.86 132.68 43.87 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.217 0.532 . . . . 0.0 111.384 -179.457 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.426 ' H ' HD12 ' B' ' 12' ' ' LEU . 29.7 mmmt -131.7 128.24 38.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.798 -179.815 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -166.51 175.83 41.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 119.63 -1.271 . . . . 0.0 113.854 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -140.16 140.42 35.93 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.359 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.765 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -137.48 167.38 21.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.151 -179.376 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.568 HG22 ' HA ' ' B' ' 4' ' ' LYS . 72.0 p -143.87 119.78 10.62 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.031 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.923 ' HB ' HD13 ' A' ' 12' ' ' LEU . 9.8 t -106.65 145.07 32.41 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.466 178.439 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -105.75 117.15 33.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.578 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -149.19 153.61 37.9 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.213 0.53 . . . . 0.0 112.217 -179.228 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 25.2 t -50.6 -28.03 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.196 -178.722 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.677 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -155.15 171.2 20.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.352 . . . . 0.0 111.158 179.452 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.521 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -57.59 -41.72 81.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.553 -179.457 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.61 -54.57 33.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.398 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.917 ' O ' HG23 ' B' ' 29' ' ' VAL . 75.0 p -52.04 -45.83 64.82 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.507 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.608 ' HB1' HG23 ' B' ' 18' ' ' THR . . . -60.68 -51.69 68.28 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.359 178.184 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 8.4 tm-20 -53.35 -46.13 69.4 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.401 178.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -61.97 -43.3 99.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.287 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.917 HG23 ' O ' ' B' ' 25' ' ' THR . 87.0 t -58.15 -40.35 76.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.356 179.431 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.632 HG12 ' CH2' ' A' ' 43' ' ' TRP . 65.0 t -61.85 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 178.467 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.493 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 2.1 mmmp? -48.41 -52.39 22.22 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.142 0.496 . . . . 0.0 110.034 179.121 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.406 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 3.6 tp-100 -57.6 -38.27 74.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.88 179.487 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.892 ' CG ' HD23 ' A' ' 12' ' ' LEU . 36.9 t80 -52.62 -65.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.128 179.336 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.945 ' CZ ' HD21 ' B' ' 7' ' ' LEU . 27.5 m-85 -66.15 -38.04 87.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.496 179.443 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.416 ' ND2' ' CG2' ' A' ' 39' ' ' VAL . 33.5 t-20 -50.51 -39.99 50.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.427 0.632 . . . . 0.0 110.134 178.621 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -94.77 -22.78 17.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.99 -1.004 . . . . 0.0 112.452 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.465 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.0 m-20 -78.47 -46.02 20.69 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.197 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -3.83 -118.62 0.0 OUTLIER Glycine 0 C--N 1.332 0.329 0 CA-C-N 114.587 -1.188 . . . . 0.0 115.639 179.681 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.602 HG12 ' O ' ' B' ' 39' ' ' VAL . 26.9 t -104.97 -1.1 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -175.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -125.52 16.79 8.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 119.165 0.893 . . . . 0.0 112.148 -179.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.24 165.07 53.84 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.209 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -92.11 100.17 12.85 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.894 0.378 . . . . 0.0 110.174 179.285 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.626 ' CH2' HG12 ' A' ' 30' ' ' VAL . 9.4 m0 -101.86 122.88 44.83 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.177 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.464 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 76.7 p -111.35 140.42 45.94 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.092 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.52 ' CD1' ' CD2' ' B' ' 52' ' ' PHE . 7.2 t80 -111.75 142.59 43.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.854 0.359 . . . . 0.0 111.643 -178.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -123.13 82.98 2.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.686 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.435 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 53.9 m-20 -45.87 -34.6 3.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.595 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.8 -31.83 12.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.244 -178.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 74.1 p -128.0 16.24 6.79 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.534 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt 48.17 38.26 9.61 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.933 0.397 . . . . 0.0 110.391 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.823 HG23 ' O ' ' A' ' 4' ' ' LYS . 84.0 m -127.7 141.6 51.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.07 -178.371 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.523 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 87.6 m-85 -106.66 144.26 33.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.498 178.724 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.464 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 3.3 p -121.04 124.86 45.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.252 0.549 . . . . 0.0 111.861 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 78.3 t -104.88 110.67 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.128 178.428 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 12.0 m -102.18 114.99 29.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.451 . . . . 0.0 112.14 -178.308 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.311 -0.852 . . . . 0.0 111.071 179.558 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 C--O 1.232 0.136 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -124.07 146.08 48.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 0.0 111.117 -179.684 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.511 ' O ' ' HA ' ' B' ' 51' ' ' THR . 1.4 tmtp? -97.77 107.71 20.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.025 -179.799 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.784 ' HB ' HG23 ' A' ' 16' ' ' THR . 58.1 t -96.54 124.09 49.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.118 0.485 . . . . 0.0 111.243 -179.561 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.838 HG22 ' OD1' ' A' ' 8' ' ' ASN . 74.4 mt -105.6 125.67 60.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.303 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mt -108.78 103.48 12.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.699 0.285 . . . . 0.0 110.748 -178.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.838 ' OD1' HG22 ' A' ' 6' ' ' ILE . 5.7 m120 -109.27 108.76 19.47 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.373 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.423 ' HA2' ' CB ' ' B' ' 56' ' ' GLU . . . -111.97 -170.04 18.44 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.63 179.557 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -71.58 -55.49 7.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.952 0.406 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.7 ' OG1' HG13 ' B' ' 29' ' ' VAL . 3.0 p -114.85 13.23 17.1 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.353 -179.177 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.931 HD13 ' HB ' ' B' ' 18' ' ' THR . 28.5 tp -139.43 139.58 37.12 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.952 0.406 . . . . 0.0 111.276 -179.44 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.47 ' H ' HD12 ' A' ' 12' ' ' LEU . 65.9 mttm -145.11 145.48 31.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.317 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.31 -172.1 39.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 119.891 -1.147 . . . . 0.0 113.567 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HB3' ' HE3' ' A' ' 4' ' ' LYS . 53.6 mt-10 -142.76 137.9 30.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.483 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.784 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -138.54 168.14 20.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.108 -179.579 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.431 ' O ' HD12 ' B' ' 12' ' ' LEU . 58.5 p -143.26 119.57 10.89 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.855 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.945 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.3 t -104.53 138.38 40.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.88 178.786 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -100.26 110.23 22.47 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.557 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -145.71 149.73 34.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.173 0.511 . . . . 0.0 111.868 -179.333 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -50.96 -36.88 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.772 -178.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.511 ' OD1' HG23 ' A' ' 25' ' ' THR . 7.3 p-10 -145.65 169.73 17.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.904 0.383 . . . . 0.0 111.364 179.697 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.37 -41.58 72.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.367 -179.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.412 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -62.67 -54.45 39.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.253 179.591 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.671 ' O ' HG23 ' A' ' 29' ' ' VAL . 35.0 p -53.07 -44.25 67.36 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.348 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.618 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.75 -53.66 55.32 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.133 177.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 89.0 tt0 -50.68 -49.31 57.63 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.52 179.132 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -59.14 -44.96 92.09 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.192 0.52 . . . . 0.0 109.683 179.053 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.694 HG13 ' OG1' ' B' ' 11' ' ' THR . 51.0 t -56.39 -43.23 76.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.567 179.136 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 26' ' ' ALA . 21.2 t -65.58 -48.79 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.706 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.629 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 27.7 mmtm -46.72 -48.56 20.3 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 121.178 0.513 . . . . 0.0 109.906 178.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.507 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -63.71 -35.5 80.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.823 179.017 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.892 ' CG ' HD23 ' B' ' 12' ' ' LEU . 61.4 t80 -56.39 -57.72 11.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.37 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -75.4 -40.59 57.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.54 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.529 HD22 HG22 ' B' ' 39' ' ' VAL . 24.8 t-20 -49.52 -37.79 28.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.55 0.69 . . . . 0.0 109.875 178.689 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.42 ' CB ' ' OE2' ' A' ' 56' ' ' GLU . 1.5 m-20 -94.64 -24.21 17.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.722 -1.127 . . . . 0.0 112.805 -179.52 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 85.5 m-20 -76.92 -43.66 34.69 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.024 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.35 -119.77 0.0 OUTLIER Glycine 0 C--N 1.333 0.362 0 CA-C-N 114.48 -1.237 . . . . 0.0 116.042 179.802 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.525 HG22 HD22 ' B' ' 35' ' ' ASN . 91.5 t -84.37 -55.32 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -175.682 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -89.25 27.28 1.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -176.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.09 156.62 53.57 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 119.901 -1.142 . . . . 0.0 112.038 179.301 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -87.14 99.05 11.64 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.83 0.315 . . . . 0.0 110.156 179.398 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.628 ' CH2' ' HD3' ' B' ' 31' ' ' LYS . 6.4 m0 -104.92 125.29 50.77 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -178.091 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.402 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 71.0 p -108.84 138.27 45.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.516 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.492 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 8.0 t80 -112.45 142.97 44.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.034 0.445 . . . . 0.0 111.56 -178.851 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.63 84.34 2.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.695 179.587 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 15.4 m-20 -47.74 -36.13 10.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.619 -179.672 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.89 -32.71 15.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.115 -179.111 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.7 p -128.11 13.72 6.73 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.65 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 49.22 33.26 4.91 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.554 -179.543 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.616 HG21 ' CD1' ' B' ' 6' ' ' ILE . 96.5 m -113.66 146.02 40.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.127 0.489 . . . . 0.0 111.763 -178.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.492 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 1.8 m-85 -116.61 137.29 52.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.008 179.465 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.542 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -119.48 127.7 53.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.185 0.517 . . . . 0.0 111.775 179.381 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -107.48 107.25 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.544 178.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.59 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 10.1 m -94.52 108.44 20.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.057 0.456 . . . . 0.0 111.801 -178.767 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.423 ' CB ' ' HA2' ' B' ' 9' ' ' GLY . 16.3 tp10 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.995 179.582 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.428 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 28.1 ttt . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.778 0.323 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.428 ' N ' ' HG2' ' B' ' 1' ' ' MET . 8.3 tt0 -103.2 138.14 40.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.085 179.35 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -124.11 146.09 48.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.961 0.41 . . . . 0.0 111.122 -179.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.511 ' O ' ' HA ' ' A' ' 51' ' ' THR . 1.4 tmtp? -97.91 107.9 20.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.05 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.776 ' HB ' HG23 ' B' ' 16' ' ' THR . 57.7 t -96.58 124.01 49.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.079 0.466 . . . . 0.0 111.317 -179.481 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.84 HG22 ' OD1' ' B' ' 8' ' ' ASN . 74.7 mt -105.66 125.64 61.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.21 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.7 mt -108.76 103.49 12.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.738 0.304 . . . . 0.0 110.742 -178.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.84 ' OD1' HG22 ' B' ' 6' ' ' ILE . 5.7 m120 -109.28 108.75 19.46 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.438 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.423 ' HA2' ' CB ' ' A' ' 56' ' ' GLU . . . -111.96 -170.03 18.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.546 179.593 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -71.62 -55.52 7.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.935 0.398 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.694 ' OG1' HG13 ' A' ' 29' ' ' VAL . 3.0 p -114.75 13.2 17.23 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.294 -179.143 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.945 HD13 ' HB ' ' A' ' 18' ' ' THR . 28.8 tp -139.49 139.49 36.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.001 0.429 . . . . 0.0 111.222 -179.305 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.467 ' H ' HD12 ' B' ' 12' ' ' LEU . 65.8 mttm -144.99 145.49 31.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.348 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.3 -172.18 39.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 119.931 -1.128 . . . . 0.0 113.638 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.421 ' HB3' ' HE3' ' B' ' 4' ' ' LYS . 53.7 mt-10 -142.69 137.99 30.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.972 0.415 . . . . 0.0 110.496 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.776 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -138.58 168.17 20.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.086 -179.541 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.436 ' O ' HD12 ' A' ' 12' ' ' LEU . 58.0 p -143.44 119.46 10.68 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -178.859 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.931 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.4 t -104.27 138.35 40.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.935 178.773 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -100.24 110.19 22.43 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.549 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -145.68 149.72 34.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.267 0.556 . . . . 0.0 111.814 -179.215 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.08 -36.68 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.848 -178.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.516 ' OD1' HG23 ' B' ' 25' ' ' THR . 7.3 p-10 -145.82 169.78 17.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.914 0.388 . . . . 0.0 111.275 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.48 -41.49 73.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.367 -179.619 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.407 ' HB3' ' OD2' ' B' ' 22' ' ' ASP . . . -62.62 -54.49 38.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.205 179.537 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.672 ' O ' HG23 ' B' ' 29' ' ' VAL . 34.4 p -53.13 -44.18 67.51 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.501 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.612 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.84 -53.7 54.8 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 178.005 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -50.53 -49.33 56.13 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.585 179.029 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -59.17 -44.96 92.16 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.085 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.7 HG13 ' OG1' ' A' ' 11' ' ' THR . 50.7 t -56.42 -43.16 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.584 179.146 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.612 HG23 ' O ' ' B' ' 26' ' ' ALA . 21.3 t -65.7 -48.74 81.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.728 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.628 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 27.8 mmtm -46.68 -48.53 20.08 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.088 0.471 . . . . 0.0 109.934 178.721 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.508 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -63.83 -35.46 80.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.753 179.1 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.886 ' CG ' HD23 ' A' ' 12' ' ' LEU . 61.2 t80 -56.32 -57.79 10.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.393 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -75.4 -40.75 57.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.438 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.525 HD22 HG22 ' A' ' 39' ' ' VAL . 24.9 t-20 -49.4 -37.74 26.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.552 0.691 . . . . 0.0 109.976 178.644 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.418 ' CB ' ' OE2' ' B' ' 56' ' ' GLU . 1.5 m-20 -94.74 -24.07 17.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.728 -1.123 . . . . 0.0 112.756 -179.501 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 85.4 m-20 -77.08 -43.63 33.63 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.062 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.25 -119.77 0.0 OUTLIER Glycine 0 C--N 1.333 0.4 0 CA-C-N 114.398 -1.274 . . . . 0.0 116.09 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.529 HG22 HD22 ' A' ' 35' ' ' ASN . 89.6 t -84.38 -55.39 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -175.692 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -89.16 27.14 1.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -176.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.89 156.68 53.49 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 119.939 -1.124 . . . . 0.0 111.989 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -87.28 99.06 11.69 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.319 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.629 ' CH2' ' HD3' ' A' ' 31' ' ' LYS . 6.5 m0 -105.03 125.39 50.93 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.018 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.0 p -108.88 138.32 45.41 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.497 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 8.1 t80 -112.46 142.89 44.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.914 0.388 . . . . 0.0 111.582 -178.814 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -123.6 84.39 2.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.636 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.429 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 15.6 m-20 -47.92 -35.95 11.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.629 -179.619 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.98 -32.65 15.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 112.149 -179.197 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 79.2 p -128.27 13.99 6.66 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 49.24 33.16 4.85 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.903 0.382 . . . . 0.0 110.536 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.61 HG21 ' CD1' ' A' ' 6' ' ' ILE . 96.6 m -113.59 145.93 40.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.821 -178.841 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.497 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 1.8 m-85 -116.6 137.35 52.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.99 179.425 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.544 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -119.56 127.65 53.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.148 0.499 . . . . 0.0 111.782 179.377 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.2 t -107.37 107.24 22.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.575 178.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.592 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 10.3 m -94.55 108.53 20.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.009 0.433 . . . . 0.0 111.678 -178.675 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.423 ' CB ' ' HA2' ' A' ' 9' ' ' GLY . 16.4 tp10 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.997 179.535 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 C--O 1.231 0.11 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -134.11 149.15 51.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.743 0.306 . . . . 0.0 110.988 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.844 ' O ' HG23 ' B' ' 51' ' ' THR . 4.8 ttmp? -107.8 110.88 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.504 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.712 ' HB ' HG23 ' A' ' 16' ' ' THR . 62.0 t -94.43 134.89 30.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.311 0.577 . . . . 0.0 111.385 -179.53 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.426 HG13 ' CG2' ' B' ' 51' ' ' THR . 74.0 mt -104.39 116.43 48.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.293 179.705 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.462 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.0 mt -94.9 85.09 4.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.523 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.681 ' O ' ' HA ' ' B' ' 55' ' ' THR . 33.5 t-20 -95.32 107.36 19.48 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.273 -178.094 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.414 ' HA3' ' HE1' ' B' ' 33' ' ' PHE . . . -116.51 -165.82 14.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.531 179.382 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.526 ' HG2' ' CG ' ' B' ' 56' ' ' GLU . 3.2 mmmp? -78.39 -57.8 3.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.042 0.449 . . . . 0.0 110.755 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.459 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 3.0 p -106.43 5.89 29.82 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.236 -179.556 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.997 HD13 ' HB ' ' B' ' 18' ' ' THR . 20.0 tp -136.98 136.27 38.38 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.085 0.469 . . . . 0.0 111.185 -179.502 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.47 ' H ' HD12 ' A' ' 12' ' ' LEU . 27.3 mtpp -145.21 145.62 31.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.015 179.803 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.535 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -179.36 -168.71 38.75 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 119.966 -1.111 . . . . 0.0 113.319 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -145.23 137.6 25.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.996 0.427 . . . . 0.0 110.543 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.757 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -134.08 168.37 18.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.895 -179.739 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.431 HG22 ' HA ' ' A' ' 4' ' ' LYS . 66.3 p -143.47 117.28 9.32 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -179.06 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 1.005 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.7 t -104.63 141.29 36.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.815 178.287 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -99.31 112.84 24.93 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.322 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.545 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -147.66 150.06 33.65 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.17 0.509 . . . . 0.0 112.116 -178.921 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.78 -29.79 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.079 -178.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.476 ' OD1' HG23 ' A' ' 25' ' ' THR . 6.5 p-10 -154.82 172.03 18.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.921 0.391 . . . . 0.0 111.486 179.687 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.454 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -57.43 -41.37 80.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.284 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.79 -54.56 33.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.435 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.867 ' O ' HG23 ' A' ' 29' ' ' VAL . 35.8 p -53.49 -44.28 68.88 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.208 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.797 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.84 -51.64 68.86 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.379 178.014 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 88.7 tt0 -54.85 -45.98 74.59 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.596 179.406 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -63.74 -47.2 82.0 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.209 179.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 25' ' ' THR . 96.2 t -53.9 -42.38 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.864 179.204 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 26' ' ' ALA . 40.2 t -62.05 -44.7 99.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.435 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.523 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 29.1 mmtp -46.8 -52.1 14.94 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.57 -38.07 80.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.685 179.266 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.889 ' CG ' HD23 ' B' ' 12' ' ' LEU . 52.5 t80 -53.86 -63.02 1.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.218 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -68.16 -39.12 82.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.669 179.233 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.515 ' ND2' HG21 ' B' ' 39' ' ' VAL . 34.1 t-20 -51.08 -39.16 55.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.343 0.592 . . . . 0.0 110.19 178.565 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.49 -22.84 17.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.464 -179.799 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.479 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.2 m-20 -80.35 -45.99 16.85 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.857 179.273 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.29 -116.4 0.0 OUTLIER Glycine 0 C--N 1.333 0.376 0 CA-C-N 114.824 -1.08 . . . . 0.0 115.464 179.772 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.66 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.9 t -110.19 4.51 8.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -176.138 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.42 13.63 8.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.631 -0.668 . . . . 0.0 112.092 -179.813 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.47 170.96 53.87 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.404 -0.903 . . . . 0.0 113.022 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 0.5 OUTLIER -97.32 105.68 17.88 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.207 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.574 ' HH2' HG12 ' B' ' 30' ' ' VAL . 7.5 m0 -103.64 123.92 47.87 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -178.183 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.498 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 64.7 p -112.0 138.39 48.71 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.882 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.498 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 9.2 t80 -111.7 145.27 39.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.932 0.396 . . . . 0.0 111.757 -178.754 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.463 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.7 t0 -123.45 82.82 2.05 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.78 179.507 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.428 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 14.4 m-20 -45.32 -34.68 3.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.898 -179.593 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.463 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.5 -34.56 17.41 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -178.716 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -128.21 16.64 6.65 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.5 mttp 47.9 36.88 6.58 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.002 0.43 . . . . 0.0 110.582 -179.563 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.845 HG23 ' O ' ' B' ' 4' ' ' LYS . 93.4 m -122.87 139.0 54.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.251 -179.213 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.5 m-85 -107.17 145.16 32.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.926 179.604 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.498 ' HG1' ' HG1' ' A' ' 44' ' ' THR . 2.9 p -117.26 121.48 41.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.162 0.506 . . . . 0.0 111.029 178.732 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.9 t -102.63 107.46 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.407 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.681 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 16.9 m -97.76 114.05 25.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.029 179.671 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.522 ' CG ' ' HG2' ' B' ' 10' ' ' LYS . 2.1 pp20? . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.173 -0.918 . . . . 0.0 111.419 -178.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 121.018 0.437 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -112.94 155.02 25.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.253 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -134.09 149.13 51.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 111.008 -179.77 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.845 ' O ' HG23 ' A' ' 51' ' ' THR . 4.8 ttmp? -107.73 110.85 22.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.503 179.794 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.712 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.8 t -94.47 134.9 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.347 0.594 . . . . 0.0 111.329 -179.511 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.43 HG13 ' CG2' ' A' ' 51' ' ' THR . 74.2 mt -104.43 116.53 48.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.301 179.698 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.0 mt -94.88 84.98 4.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.514 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.681 ' O ' ' HA ' ' A' ' 55' ' ' THR . 33.6 t-20 -95.24 107.31 19.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.32 -178.171 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.413 ' HA3' ' HE1' ' A' ' 33' ' ' PHE . . . -116.6 -165.78 14.14 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.419 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.522 ' HG2' ' CG ' ' A' ' 56' ' ' GLU . 3.2 mmmp? -78.3 -57.97 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.066 0.46 . . . . 0.0 110.689 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.46 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 3.0 p -106.36 5.9 29.98 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.245 -179.524 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 1.005 HD13 ' HB ' ' A' ' 18' ' ' THR . 19.9 tp -136.95 136.32 38.46 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.111 0.481 . . . . 0.0 111.169 -179.573 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.473 ' H ' HD12 ' B' ' 12' ' ' LEU . 27.4 mtpp -145.19 145.53 31.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.112 179.82 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.534 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -179.31 -168.61 38.57 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 119.96 -1.114 . . . . 0.0 113.308 -179.894 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -145.28 137.61 25.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.011 0.434 . . . . 0.0 110.53 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.757 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -134.03 168.48 18.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.888 -179.792 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.432 HG22 ' HA ' ' B' ' 4' ' ' LYS . 66.0 p -143.52 117.29 9.3 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -179.057 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.997 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.5 t -104.69 141.26 36.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.809 178.383 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -99.34 113.01 25.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.354 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.538 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -147.78 150.13 33.65 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 121.24 0.543 . . . . 0.0 112.19 -178.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.83 -29.82 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.11 -178.727 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.469 ' OD1' HG23 ' B' ' 25' ' ' THR . 6.4 p-10 -154.72 172.03 18.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.972 0.415 . . . . 0.0 111.489 179.659 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.453 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -57.45 -41.35 80.35 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.365 -179.714 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.78 -54.61 32.44 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.42 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.862 ' O ' HG23 ' B' ' 29' ' ' VAL . 36.2 p -53.29 -44.46 68.31 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.177 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.796 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.7 -51.74 68.51 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.418 177.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 88.7 tt0 -54.73 -46.2 74.21 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.536 179.39 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -63.57 -47.25 82.26 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.235 179.42 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.862 HG23 ' O ' ' B' ' 25' ' ' THR . 95.9 t -53.8 -42.54 52.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.895 179.138 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.796 HG23 ' O ' ' B' ' 26' ' ' ALA . 40.3 t -62.02 -44.71 99.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.453 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.524 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 29.1 mmtp -46.76 -52.14 14.71 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 121.226 0.536 . . . . 0.0 109.588 178.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.56 -38.18 80.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.636 179.287 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.881 ' CG ' HD23 ' A' ' 12' ' ' LEU . 52.1 t80 -53.72 -63.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.269 179.374 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -68.16 -39.15 82.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.653 179.259 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.516 ' ND2' HG21 ' A' ' 39' ' ' VAL . 34.3 t-20 -50.97 -39.1 54.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.461 0.648 . . . . 0.0 110.328 178.481 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.66 -22.88 17.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.332 -179.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.481 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.4 m-20 -80.28 -46.14 16.7 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.329 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.34 -116.32 0.0 OUTLIER Glycine 0 CA--C 1.52 0.367 0 CA-C-N 114.805 -1.089 . . . . 0.0 115.403 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.652 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.9 t -110.12 4.39 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 -176.125 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.45 13.72 8.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 118.56 0.618 . . . . 0.0 112.16 -179.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.45 170.94 53.87 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.037 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 0.5 OUTLIER -97.35 105.68 17.87 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.239 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.579 ' HH2' HG12 ' A' ' 30' ' ' VAL . 7.6 m0 -103.68 123.96 47.96 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -178.218 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.441 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 63.8 p -112.11 138.39 48.84 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.026 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.496 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 9.2 t80 -111.78 145.33 39.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.952 0.406 . . . . 0.0 111.756 -178.735 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.461 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.5 t0 -123.64 82.91 2.07 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.684 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.433 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 14.5 m-20 -45.42 -34.57 3.18 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.833 -179.568 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.461 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.62 -34.51 18.3 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -178.716 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 67.9 p -128.18 16.67 6.67 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 15.5 mttp 47.93 36.85 6.62 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.013 0.435 . . . . 0.0 110.551 -179.587 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.844 HG23 ' O ' ' A' ' 4' ' ' LYS . 93.3 m -122.86 139.05 54.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.265 -179.226 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.496 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.4 m-85 -107.22 145.1 33.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.976 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.441 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 2.8 p -117.2 121.52 41.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.17 0.51 . . . . 0.0 110.996 178.771 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.0 t -102.55 107.45 21.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.499 179.73 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.681 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 17.3 m -97.9 114.1 26.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.012 179.761 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.526 ' CG ' ' HG2' ' A' ' 10' ' ' LYS . 2.1 pp20? . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.234 -0.888 . . . . 0.0 111.483 -178.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.74 0.305 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.427 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 17.2 m-85 -127.52 146.75 50.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.614 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.814 ' O ' HG23 ' B' ' 51' ' ' THR . 88.7 tttt -107.92 111.25 23.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.956 -179.668 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.602 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.3 t -94.78 127.7 46.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.284 0.564 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.407 ' HB ' HG22 ' B' ' 53' ' ' THR . 67.8 mt -101.71 122.2 53.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.427 ' CD1' ' CD1' ' B' ' 7' ' ' LEU . 8.8 mt -101.36 82.45 2.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.704 179.79 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.563 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.8 t-20 -93.65 109.83 21.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.881 -178.268 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.09 -168.21 13.99 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.951 179.329 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.483 ' NZ ' ' HB3' ' A' ' 10' ' ' LYS . 7.6 mtpm? -86.69 -56.94 3.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.05 0.452 . . . . 0.0 110.231 179.504 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.3 p -96.22 -5.65 39.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.638 179.414 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.962 HD13 ' HB ' ' B' ' 18' ' ' THR . 13.6 tp -134.88 135.75 41.87 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.047 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.545 ' H ' HD12 ' A' ' 12' ' ' LEU . 27.5 mtpp -144.85 144.34 31.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.543 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.87 -168.8 39.35 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.138 -1.03 . . . . 0.0 113.274 -179.897 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -145.66 151.97 38.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.875 0.369 . . . . 0.0 110.698 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.746 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -150.53 168.98 22.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.009 -179.47 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 4' ' ' LYS . 63.2 p -143.79 120.93 11.47 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -179.027 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.951 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.1 t -108.33 147.57 31.3 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.762 178.589 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -108.08 118.53 37.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.65 0.262 . . . . 0.0 110.389 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.24 152.12 35.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.19 0.519 . . . . 0.0 112.007 -179.34 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -50.9 -28.4 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.538 -179.229 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.458 ' OD1' HG23 ' A' ' 25' ' ' THR . 5.7 p-10 -153.01 170.79 19.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.976 0.417 . . . . 0.0 111.511 179.561 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.548 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -57.29 -41.65 80.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.341 -179.672 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.14 -55.32 26.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.045 179.238 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.9 ' O ' HG23 ' A' ' 29' ' ' VAL . 29.9 p -51.69 -45.06 63.35 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.396 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.653 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.83 -52.26 65.83 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.12 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.539 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 44.2 tt0 -52.81 -48.71 66.73 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.748 178.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -59.0 -40.72 85.75 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.732 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 25' ' ' THR . 62.7 t -60.77 -34.86 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.966 179.272 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 26' ' ' ALA . 10.6 t -67.29 -49.44 72.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 3.5 mptp? -47.27 -45.45 23.97 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.165 0.507 . . . . 0.0 109.925 178.354 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.549 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 8.2 tt0 -68.85 -39.79 79.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.717 179.329 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.886 ' CG ' HD23 ' B' ' 12' ' ' LEU . 65.3 t80 -51.3 -50.1 60.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.42 178.64 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.493 ' CE2' HG12 ' A' ' 30' ' ' VAL . 25.2 m-85 -77.19 -36.8 54.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.15 178.496 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.555 HD22 HG21 ' B' ' 39' ' ' VAL . 25.2 t-20 -50.52 -40.64 52.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.491 0.662 . . . . 0.0 109.755 178.16 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -94.52 -24.34 17.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.738 -1.119 . . . . 0.0 112.719 -179.356 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 90.7 m-20 -78.74 -46.61 18.54 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.442 178.718 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.57 -120.34 0.0 OUTLIER Glycine 0 C--N 1.335 0.508 0 CA-C-N 114.886 -1.052 . . . . 0.0 115.584 179.327 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 39' ' ' VAL . 43.0 t -111.41 4.57 8.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -176.592 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.41 12.27 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.812 -0.555 . . . . 0.0 111.971 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.44 174.25 54.3 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.571 -0.824 . . . . 0.0 113.078 -179.477 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -95.55 102.91 14.75 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.743 0.306 . . . . 0.0 110.515 179.591 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.535 ' HH2' HG12 ' B' ' 30' ' ' VAL . 6.4 m0 -102.89 122.05 43.75 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.39 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 51.7 p -105.19 133.79 49.38 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.563 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 15.7 t80 -111.03 144.9 39.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.024 0.44 . . . . 0.0 112.013 -178.491 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.47 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.4 t0 -123.79 81.72 1.94 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.241 178.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.12 -36.04 12.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 111.586 -179.329 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.47 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.24 -29.43 9.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.888 -179.485 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.5 p -128.27 11.4 6.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.597 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm 49.47 34.29 6.59 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.01 0.433 . . . . 0.0 110.752 -179.779 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.809 HG23 ' O ' ' B' ' 4' ' ' LYS . 97.4 m -120.51 136.77 54.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.95 -179.371 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.548 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 3.3 m-85 -106.29 144.6 32.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.159 179.62 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.407 HG22 ' HB ' ' B' ' 6' ' ' ILE . 2.9 p -121.25 128.54 52.49 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.213 0.53 . . . . 0.0 111.089 179.084 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.417 HG12 ' OD1' ' A' ' 37' ' ' ASN . 47.1 t -107.66 109.54 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.578 179.196 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.568 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 9.2 m -100.61 115.81 31.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.104 0.478 . . . . 0.0 111.718 -178.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.987 179.774 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.863 0.363 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -107.56 144.41 34.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.543 179.67 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.42 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 17.3 m-85 -127.47 146.8 50.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.664 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.809 ' O ' HG23 ' A' ' 51' ' ' THR . 88.6 tttt -107.93 111.3 23.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.0 -179.75 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.597 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.3 t -94.72 127.69 46.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.205 0.526 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.407 ' HB ' HG22 ' A' ' 53' ' ' THR . 67.8 mt -101.78 122.23 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 8.9 mt -101.38 82.29 2.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.722 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.568 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.6 t-20 -93.59 109.78 21.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.871 -178.201 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.03 -168.13 13.98 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.999 179.302 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.481 ' NZ ' ' HB3' ' B' ' 10' ' ' LYS . 7.7 mtpm? -86.75 -56.93 3.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.086 0.47 . . . . 0.0 110.214 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 16.5 p -96.24 -5.77 39.57 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.527 179.482 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.951 HD13 ' HB ' ' A' ' 18' ' ' THR . 13.4 tp -134.83 135.78 41.98 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 -179.771 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.545 ' H ' HD12 ' B' ' 12' ' ' LEU . 27.6 mtpp -144.85 144.34 31.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.517 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.87 -168.77 39.29 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.134 -1.032 . . . . 0.0 113.27 -179.908 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -145.72 151.91 38.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.751 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.753 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -150.52 169.01 22.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.998 -179.451 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.525 HG22 ' HA ' ' B' ' 4' ' ' LYS . 63.1 p -143.77 120.89 11.45 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -178.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.962 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.0 t -108.43 147.49 31.54 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.726 178.56 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -107.93 118.56 37.06 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.569 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -149.29 152.09 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.09 0.471 . . . . 0.0 112.07 -179.363 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.88 -28.51 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.437 -179.191 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.46 ' OD1' HG23 ' B' ' 25' ' ' THR . 5.8 p-10 -152.97 170.94 19.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 0.0 111.552 179.594 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.548 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -57.38 -41.63 80.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.327 -179.679 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.09 -55.53 24.63 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.313 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.9 ' O ' HG23 ' B' ' 29' ' ' VAL . 30.8 p -51.52 -45.16 62.82 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.442 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.651 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.8 -52.37 65.38 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.144 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.543 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 44.1 tt0 -52.79 -48.69 66.68 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.652 179.042 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -59.01 -40.73 85.84 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.899 179.714 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.9 HG23 ' O ' ' B' ' 25' ' ' THR . 62.4 t -60.74 -34.81 60.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.021 179.262 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.651 HG23 ' O ' ' B' ' 26' ' ' ALA . 10.7 t -67.4 -49.45 71.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.543 ' HD3' ' O ' ' B' ' 27' ' ' GLU . 3.5 mptp? -47.31 -45.49 24.38 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.302 0.572 . . . . 0.0 109.836 178.461 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.543 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 8.2 tt0 -68.88 -39.75 79.61 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.693 179.471 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.89 ' CG ' HD23 ' A' ' 12' ' ' LEU . 64.9 t80 -51.28 -50.01 60.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.508 178.495 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.499 ' CE2' HG12 ' B' ' 30' ' ' VAL . 25.2 m-85 -77.32 -36.85 53.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.99 178.6 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.559 HD22 HG21 ' A' ' 39' ' ' VAL . 25.0 t-20 -50.56 -40.66 52.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.553 0.692 . . . . 0.0 109.699 178.29 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -94.53 -24.22 17.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.812 -179.425 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 90.7 m-20 -78.87 -46.45 18.52 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.408 178.667 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.62 -120.34 0.0 OUTLIER Glycine 0 C--N 1.334 0.472 0 N-CA-C 115.55 0.98 . . . . 0.0 115.55 179.311 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' B' ' 39' ' ' VAL . 43.2 t -111.48 4.73 8.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -176.661 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.4 12.15 8.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.893 -0.504 . . . . 0.0 111.939 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.42 174.26 54.32 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.124 -179.504 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -95.6 102.66 14.48 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.736 0.303 . . . . 0.0 110.563 179.71 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.541 ' HH2' HG12 ' A' ' 30' ' ' VAL . 6.4 m0 -102.74 122.12 43.83 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.36 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.442 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 49.8 p -105.19 133.9 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 177.535 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 15.6 t80 -111.03 145.02 39.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.05 0.453 . . . . 0.0 112.017 -178.538 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.47 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.4 t0 -123.99 81.86 1.96 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.161 178.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.2 -36.05 12.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.567 -179.37 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.47 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.19 -29.42 9.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.864 -179.467 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 76.4 p -128.25 11.3 6.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.601 0.238 . . . . 0.0 111.577 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm 49.53 34.2 6.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.024 0.44 . . . . 0.0 110.761 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.814 HG23 ' O ' ' A' ' 4' ' ' LYS . 97.4 m -120.5 136.8 54.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.025 -179.496 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.548 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 3.3 m-85 -106.27 144.56 32.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.17 179.683 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.442 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 2.9 p -121.22 128.63 52.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.194 0.521 . . . . 0.0 111.083 179.112 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.414 HG12 ' OD1' ' B' ' 37' ' ' ASN . 47.4 t -107.74 109.6 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.563 179.226 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.563 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 9.4 m -100.59 115.86 31.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.949 0.404 . . . . 0.0 111.691 -178.792 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.92 179.878 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.7 0.286 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.412 ' O ' ' HA ' ' A' ' 17' ' ' THR . 74.5 m-85 -129.87 145.45 51.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.588 179.904 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' B' ' 51' ' ' THR . 38.5 ttpt -112.57 110.93 21.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.952 0.406 . . . . 0.0 110.547 179.829 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.707 HG13 ' O ' ' B' ' 52' ' ' PHE . 58.9 t -93.95 131.64 40.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.368 0.604 . . . . 0.0 111.091 -179.481 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.608 ' CD1' HG21 ' B' ' 51' ' ' THR . 82.9 mt -100.93 126.76 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.328 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.514 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.0 mt -105.85 85.79 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.324 -179.173 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.729 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.3 m120 -89.87 102.07 14.77 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.416 -178.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.15 149.99 17.99 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.233 179.165 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -44.81 -56.6 4.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.886 0.374 . . . . 0.0 111.833 -179.598 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.474 ' HB ' HG11 ' B' ' 29' ' ' VAL . 9.5 p -99.42 -4.88 30.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.984 -178.762 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.939 HD13 ' HB ' ' B' ' 18' ' ' THR . 13.6 tp -135.25 136.44 41.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.663 0.268 . . . . 0.0 110.985 -179.532 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.562 ' H ' HD12 ' A' ' 12' ' ' LEU . 51.2 mtmt -145.34 144.72 30.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.521 179.623 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.546 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.8 -168.75 39.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.073 -1.061 . . . . 0.0 113.55 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.418 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 54.4 mp0 -143.78 140.18 29.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.864 0.364 . . . . 0.0 110.382 179.708 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.794 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -137.86 168.79 18.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.189 -179.611 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 4' ' ' LYS . 72.3 p -143.75 119.55 10.54 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.94 ' HB ' HD13 ' B' ' 12' ' ' LEU . 8.9 t -108.15 144.2 35.88 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.581 178.757 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -103.77 115.24 30.11 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 179.607 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.653 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -147.55 149.94 33.55 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 121.232 0.539 . . . . 0.0 111.984 -179.264 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.5 t -51.06 -36.98 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.965 -178.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.67 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -146.18 171.86 14.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.941 0.401 . . . . 0.0 111.161 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.85 87.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.506 -179.447 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.07 -55.02 33.31 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.566 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.872 ' O ' HG23 ' A' ' 29' ' ' VAL . 76.1 p -51.9 -46.02 64.43 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.361 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.12 -53.79 54.34 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.479 ' OE2' ' CE3' ' B' ' 43' ' ' TRP . 15.7 tp10 -49.19 -48.61 45.09 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.593 178.621 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -64.17 -45.76 86.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.28 179.397 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 25' ' ' THR . 84.6 t -59.87 -40.05 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.273 179.294 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 26' ' ' ALA . 46.7 t -66.57 -49.3 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.523 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.513 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 10.0 mtpm? -49.62 -43.78 46.89 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.047 0.451 . . . . 0.0 110.003 178.666 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.405 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 3.5 tp-100 -60.41 -35.87 76.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.327 178.847 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.81 ' CG ' HD23 ' B' ' 12' ' ' LEU . 23.1 t80 -54.13 -63.71 1.06 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.142 179.207 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.479 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 23.8 m-85 -68.3 -39.78 81.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.546 179.486 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.462 HD22 HG22 ' B' ' 39' ' ' VAL . 28.9 t-20 -51.08 -38.09 49.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.523 0.678 . . . . 0.0 109.503 178.336 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -94.51 -26.03 16.6 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 114.752 -1.113 . . . . 0.0 112.606 -179.622 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.458 ' O ' ' C ' ' A' ' 38' ' ' GLY . 86.9 m-20 -77.33 -43.35 33.32 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.186 0.517 . . . . 0.0 109.818 179.148 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.85 -117.97 0.0 OUTLIER Glycine 0 C--N 1.332 0.324 0 CA-C-N 114.43 -1.259 . . . . 0.0 115.666 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.478 HG22 HD22 ' B' ' 35' ' ' ASN . 69.9 t -84.34 -55.53 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -176.005 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -88.21 25.89 1.52 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -177.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.73 159.26 53.76 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 119.895 -1.145 . . . . 0.0 112.01 179.404 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -90.43 98.74 11.95 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.814 0.307 . . . . 0.0 110.306 179.528 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.549 ' CH2' HG12 ' B' ' 30' ' ' VAL . 5.4 m0 -101.36 120.74 40.72 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.368 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.2 p -104.35 133.44 49.24 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.814 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.501 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 14.2 t80 -108.69 141.97 39.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.036 0.446 . . . . 0.0 111.868 -178.851 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -123.59 81.41 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.353 178.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.11 -34.37 5.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.545 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.03 -32.52 15.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.025 -179.402 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -128.1 13.02 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm 53.58 31.94 13.45 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.829 0.347 . . . . 0.0 110.422 -179.777 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.602 HG21 ' CD1' ' B' ' 6' ' ' ILE . 96.8 m -111.78 136.3 51.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.637 -178.896 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.71 ' O ' HG13 ' B' ' 5' ' ' VAL . 4.8 m-85 -108.7 95.35 5.59 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.232 0.539 . . . . 0.0 111.693 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.5 p -75.42 127.27 32.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.891 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -117.86 121.74 68.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.462 178.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.737 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 19.4 m -117.25 128.77 55.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.89 0.376 . . . . 0.0 111.636 -179.108 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.864 -179.75 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.947 0.403 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -102.08 135.98 42.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.586 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' B' ' 17' ' ' THR . 75.8 m-85 -129.98 145.75 51.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.542 179.882 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 51' ' ' THR . 38.5 ttpt -112.77 110.92 21.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.538 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 52' ' ' PHE . 57.8 t -93.91 131.67 40.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.274 0.559 . . . . 0.0 111.147 -179.528 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.602 ' CD1' HG21 ' A' ' 51' ' ' THR . 82.6 mt -100.91 126.68 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.326 179.633 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.2 mt -105.92 85.89 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.355 -179.274 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.737 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.4 m120 -89.74 102.03 14.72 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.386 -178.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.02 150.1 18.01 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.25 179.084 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -44.99 -56.55 4.52 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.472 ' HB ' HG11 ' A' ' 29' ' ' VAL . 9.7 p -99.31 -5.2 30.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.007 -178.748 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.94 HD13 ' HB ' ' A' ' 18' ' ' THR . 13.6 tp -134.99 136.51 42.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.639 0.256 . . . . 0.0 111.03 -179.543 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.562 ' H ' HD12 ' B' ' 12' ' ' LEU . 51.4 mtmt -145.43 144.61 30.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.517 179.685 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.543 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.9 -169.0 39.64 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.069 -1.063 . . . . 0.0 113.599 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 54.5 mp0 -143.67 140.08 29.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.024 0.44 . . . . 0.0 110.277 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.794 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -137.64 168.84 18.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.22 -179.606 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.493 HG22 ' HA ' ' B' ' 4' ' ' LYS . 72.5 p -143.83 119.64 10.55 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -178.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.939 ' HB ' HD13 ' A' ' 12' ' ' LEU . 8.9 t -108.26 144.08 36.22 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.65 178.684 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -103.73 115.19 30.03 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.665 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.647 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -147.52 149.92 33.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.19 0.519 . . . . 0.0 112.041 -179.245 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.4 t -51.17 -36.78 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.993 -178.781 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.671 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -146.19 171.81 14.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.776 0.322 . . . . 0.0 111.287 179.64 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.99 87.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.518 -179.441 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.8 -55.3 31.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.501 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.872 ' O ' HG23 ' B' ' 29' ' ' VAL . 74.8 p -51.67 -46.12 63.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.411 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.764 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.14 -53.64 55.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.885 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.473 ' OE2' ' CE3' ' A' ' 43' ' ' TRP . 15.7 tp10 -49.27 -48.48 45.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.55 178.627 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -64.32 -45.53 87.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.388 179.373 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.872 HG23 ' O ' ' B' ' 25' ' ' THR . 84.3 t -60.1 -40.02 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.202 179.256 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.764 HG23 ' O ' ' B' ' 26' ' ' ALA . 46.7 t -66.63 -49.34 75.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.553 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.507 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 10.0 mtpm? -49.61 -43.81 46.79 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 121.036 0.446 . . . . 0.0 109.954 178.697 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.403 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 3.6 tp-100 -60.27 -35.87 76.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.37 178.781 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.803 ' CG ' HD23 ' A' ' 12' ' ' LEU . 23.4 t80 -54.22 -63.71 1.06 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.024 179.264 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.479 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 23.8 m-85 -68.35 -39.72 81.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.488 179.595 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.478 HD22 HG22 ' A' ' 39' ' ' VAL . 28.9 t-20 -51.05 -38.24 50.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.505 0.669 . . . . 0.0 109.416 178.335 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -94.47 -25.89 16.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.594 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' B' ' 38' ' ' GLY . 86.9 m-20 -77.53 -43.26 32.6 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.119 0.485 . . . . 0.0 109.701 179.263 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.93 -117.97 0.0 OUTLIER Glycine 0 C--N 1.331 0.272 0 CA-C-N 114.48 -1.236 . . . . 0.0 115.685 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.462 HG22 HD22 ' A' ' 35' ' ' ASN . 68.8 t -84.3 -55.21 7.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 -175.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -88.57 25.89 1.6 Allowed 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -177.186 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.57 159.28 53.68 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 119.889 -1.148 . . . . 0.0 112.078 179.286 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -90.6 98.69 11.92 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.825 0.313 . . . . 0.0 110.306 179.607 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.549 ' CH2' HG12 ' A' ' 30' ' ' VAL . 5.4 m0 -101.08 120.74 40.64 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -178.43 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 67.3 p -104.34 133.79 48.64 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.723 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 14.2 t80 -109.02 141.98 40.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.111 0.481 . . . . 0.0 111.834 -178.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -123.59 81.45 1.9 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.227 179.073 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.02 -34.49 5.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.551 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.1 -32.42 15.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.016 -179.23 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 72.4 p -128.0 12.88 6.74 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm 53.63 31.91 13.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.851 0.358 . . . . 0.0 110.484 -179.733 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.608 HG21 ' CD1' ' A' ' 6' ' ' ILE . 96.3 m -111.69 136.32 51.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.585 -178.895 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.707 ' O ' HG13 ' A' ' 5' ' ' VAL . 4.9 m-85 -108.82 95.51 5.7 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.322 0.582 . . . . 0.0 111.63 179.679 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.6 p -75.41 126.97 32.09 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.965 179.703 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -117.72 121.94 68.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.383 178.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.729 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 19.5 m -117.28 128.76 55.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 0.0 111.582 -179.032 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.946 -179.754 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 N--CA 1.456 -0.137 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.44 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 19.8 m-85 -127.25 143.45 51.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.947 0.403 . . . . 0.0 111.027 -179.626 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.823 ' O ' HG23 ' B' ' 51' ' ' THR . 62.5 tttp -108.75 109.82 21.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.412 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.681 HG13 ' O ' ' B' ' 52' ' ' PHE . 61.7 t -94.84 137.56 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.06 0.457 . . . . 0.0 111.12 -179.701 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.438 HG13 ' CG2' ' B' ' 51' ' ' THR . 82.8 mt -109.1 125.8 66.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.246 179.483 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.478 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.2 mt -102.2 82.31 2.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.804 -179.675 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.687 ' O ' ' HA ' ' B' ' 55' ' ' THR . 30.2 t-20 -91.5 108.95 20.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.692 -178.457 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.82 -169.29 15.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.139 179.347 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -80.76 -53.27 6.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.921 0.391 . . . . 0.0 110.309 179.407 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.431 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 17.5 p -104.84 1.08 28.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.042 -179.791 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.002 HD13 ' HB ' ' B' ' 18' ' ' THR . 20.9 tp -137.98 137.4 37.88 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.043 0.449 . . . . 0.0 111.682 -179.07 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.486 ' H ' HD12 ' A' ' 12' ' ' LEU . 1.2 mptp? -142.56 144.75 33.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.935 179.284 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.431 ' HA3' ' HB ' ' B' ' 16' ' ' THR . . . -173.28 -176.82 42.08 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 119.91 -1.138 . . . . 0.0 113.505 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -140.71 135.27 31.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.279 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.796 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -137.27 166.87 22.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.342 -179.182 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 4' ' ' LYS . 54.8 p -143.77 119.55 10.53 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -179.12 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.997 ' HB ' HD13 ' B' ' 12' ' ' LEU . 15.4 t -108.14 146.19 33.05 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.961 178.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -106.23 117.01 32.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.678 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.613 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -148.41 150.58 33.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.171 0.51 . . . . 0.0 111.891 -179.737 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.2 t -50.84 -27.19 4.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.067 -178.83 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.582 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -153.9 175.46 13.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.0 111.319 179.592 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.61 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -60.26 -42.87 96.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.397 -179.595 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -62.82 -55.26 27.95 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.6 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.87 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.9 p -50.68 -45.6 58.27 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.247 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.692 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.97 -54.38 46.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.292 177.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.501 ' OE2' ' HD3' ' A' ' 31' ' ' LYS . 5.1 tm-20 -52.82 -46.39 67.71 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.367 179.004 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 74.7 mmtt -62.25 -43.93 97.71 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.28 179.15 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 25' ' ' THR . 95.8 t -59.03 -39.03 77.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.136 179.137 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 26' ' ' ALA . 38.9 t -64.13 -47.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.486 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HD3' ' OE2' ' A' ' 27' ' ' GLU . 32.0 mmmt -47.46 -50.09 23.91 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.219 0.533 . . . . 0.0 109.843 178.85 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.416 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 3.7 tp-100 -59.32 -37.95 79.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.642 179.411 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.925 ' CG ' HD23 ' B' ' 12' ' ' LEU . 42.7 t80 -53.37 -64.23 0.89 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.102 179.108 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -67.46 -39.15 85.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.633 179.358 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 31.7 t-20 -50.78 -38.78 50.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.475 0.655 . . . . 0.0 109.912 178.519 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -94.3 -23.28 17.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.931 -1.031 . . . . 0.0 112.501 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.468 ' O ' ' C ' ' A' ' 38' ' ' GLY . 86.7 m-20 -80.64 -46.41 15.68 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.953 179.324 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.99 -115.66 0.0 OUTLIER Glycine 0 C--N 1.333 0.362 0 N-CA-C 115.612 1.005 . . . . 0.0 115.612 179.831 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 39' ' ' VAL . 26.0 t -105.85 0.05 10.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -176.072 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.79 15.0 8.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 119.064 0.847 . . . . 0.0 112.208 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.99 166.67 53.06 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.62 -0.8 . . . . 0.0 113.406 -179.387 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 45.1 mp0 -94.8 100.7 12.55 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.245 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.532 ' HH2' HG12 ' B' ' 30' ' ' VAL . 8.0 m0 -99.98 121.6 41.61 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -178.117 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.8 p -101.39 134.49 44.4 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.097 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.532 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 3.7 t80 -107.87 137.79 45.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.792 0.33 . . . . 0.0 111.44 -178.769 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -123.42 81.78 1.93 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.51 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.426 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 7.5 m-20 -46.82 -36.33 7.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.441 -179.652 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.41 -32.08 25.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.089 -179.29 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.1 p -123.04 11.59 9.55 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.313 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HA ' ' CE ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER 50.26 36.83 13.53 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.852 0.358 . . . . 0.0 110.728 179.862 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.827 HG23 ' O ' ' B' ' 4' ' ' LYS . 99.5 m -123.66 143.49 50.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.8 -178.66 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.681 ' O ' HG13 ' B' ' 5' ' ' VAL . 90.0 m-85 -111.46 94.91 5.2 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.274 0.559 . . . . 0.0 111.846 179.696 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -72.74 127.6 33.04 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.252 179.4 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.2 t -111.99 111.05 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.237 179.602 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.685 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 29.8 m -103.36 118.99 38.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.561 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.406 ' HG3' ' HA2' ' B' ' 9' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.832 -179.66 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.6 ttp . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.857 0.361 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -98.86 136.95 38.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.983 179.357 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.445 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 19.9 m-85 -127.33 143.48 51.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.888 0.375 . . . . 0.0 111.083 -179.641 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.827 ' O ' HG23 ' A' ' 51' ' ' THR . 62.4 tttp -108.85 109.77 20.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.377 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.681 HG13 ' O ' ' A' ' 52' ' ' PHE . 61.4 t -94.74 137.56 22.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.067 0.46 . . . . 0.0 111.01 -179.669 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.433 HG13 ' CG2' ' A' ' 51' ' ' THR . 82.8 mt -109.01 125.97 66.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.249 179.348 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.2 mt -102.35 82.21 2.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.864 -179.762 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.685 ' O ' ' HA ' ' A' ' 55' ' ' THR . 30.4 t-20 -91.42 108.91 20.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.758 -178.466 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.406 ' HA2' ' HG3' ' A' ' 56' ' ' GLU . . . -116.85 -169.34 15.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.123 179.473 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -80.83 -53.16 6.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.971 0.415 . . . . 0.0 110.303 179.42 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.432 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 17.5 p -104.92 1.06 28.49 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.029 -179.775 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.997 HD13 ' HB ' ' A' ' 18' ' ' THR . 21.3 tp -137.93 137.53 38.09 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.054 0.454 . . . . 0.0 111.657 -179.07 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.482 ' H ' HD12 ' B' ' 12' ' ' LEU . 1.2 mptp? -142.62 144.74 32.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.902 179.318 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.433 ' HA3' ' HB ' ' A' ' 16' ' ' THR . . . -173.25 -176.88 42.09 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 119.943 -1.123 . . . . 0.0 113.433 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -140.71 135.34 31.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 110.302 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.795 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -137.36 166.9 22.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.271 -179.204 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.525 HG22 ' HA ' ' B' ' 4' ' ' LYS . 56.3 p -143.75 119.43 10.46 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -179.117 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 1.002 ' HB ' HD13 ' A' ' 12' ' ' LEU . 15.3 t -107.98 146.39 32.54 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.984 178.912 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -106.48 116.95 32.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.657 0.265 . . . . 0.0 110.652 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.614 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -148.15 150.5 33.92 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.122 0.487 . . . . 0.0 111.906 -179.684 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.2 t -50.82 -27.18 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.012 -178.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.581 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -153.99 175.38 13.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.794 0.331 . . . . 0.0 111.298 179.646 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.61 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -60.2 -42.9 96.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.429 -179.556 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -62.69 -55.34 27.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.435 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.873 ' O ' HG23 ' B' ' 29' ' ' VAL . 51.6 p -50.54 -45.76 57.04 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.198 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.704 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.0 -54.44 46.08 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.208 178.017 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.507 ' OE2' ' HD3' ' B' ' 31' ' ' LYS . 5.1 tm-20 -52.83 -46.34 67.72 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.255 179.073 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' B' ' 24' ' ' ALA . 74.7 mmtt -62.26 -44.2 97.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.204 179.272 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.873 HG23 ' O ' ' B' ' 25' ' ' THR . 97.0 t -58.78 -39.09 75.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.087 179.24 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 26' ' ' ALA . 38.9 t -64.06 -47.59 89.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.455 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.507 ' HD3' ' OE2' ' B' ' 27' ' ' GLU . 31.9 mmmt -47.4 -50.08 23.33 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.199 0.523 . . . . 0.0 109.882 178.821 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.412 ' HA ' ' NE2' ' B' ' 32' ' ' GLN . 3.7 tp-100 -59.39 -38.0 79.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.699 179.404 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.918 ' CG ' HD23 ' A' ' 12' ' ' LEU . 42.7 t80 -53.37 -64.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.05 179.105 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -67.48 -39.14 85.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.593 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' B' ' 31' ' ' LYS . 32.0 t-20 -50.93 -38.73 51.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.413 0.625 . . . . 0.0 109.912 178.533 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -94.33 -23.17 17.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.406 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' B' ' 38' ' ' GLY . 86.6 m-20 -80.77 -46.34 15.57 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.605 -0.438 . . . . 0.0 109.958 179.311 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.19 -115.53 0.0 OUTLIER Glycine 0 CA--C 1.52 0.38 0 CA-C-N 114.99 -1.004 . . . . 0.0 115.463 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.628 HG12 ' O ' ' B' ' 39' ' ' VAL . 25.5 t -105.82 -0.13 10.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -176.09 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.72 15.21 8.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 119.113 0.87 . . . . 0.0 112.041 -179.767 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.94 166.67 53.11 Favored Glycine 0 CA--C 1.519 0.344 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.298 -179.462 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.459 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 45.2 mp0 -94.68 100.97 12.81 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.231 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.537 ' HH2' HG12 ' A' ' 30' ' ' VAL . 7.9 m0 -100.22 121.49 41.53 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -178.249 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 65.0 p -101.31 134.42 44.4 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.11 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.535 ' CD1' ' CE1' ' B' ' 52' ' ' PHE . 3.8 t80 -107.79 137.78 45.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.719 0.295 . . . . 0.0 111.511 -178.834 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -123.37 81.64 1.91 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.668 179.525 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.424 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 7.5 m-20 -46.74 -36.32 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.428 -179.507 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.4 -31.98 24.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.169 -179.298 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.7 p -123.1 11.55 9.51 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.245 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.425 ' CE ' ' HA ' ' B' ' 50' ' ' LYS . 0.0 OUTLIER 50.26 36.88 13.65 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.802 0.334 . . . . 0.0 110.707 179.843 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.823 HG23 ' O ' ' A' ' 4' ' ' LYS . 99.7 m -123.71 143.6 50.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.83 -178.732 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.681 ' O ' HG13 ' A' ' 5' ' ' VAL . 89.8 m-85 -111.51 94.96 5.23 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.12 0.486 . . . . 0.0 111.894 179.69 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -72.73 127.77 33.54 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.316 179.426 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 67.3 t -112.16 111.04 34.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.199 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.687 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 30.4 m -103.49 119.01 38.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 -179.432 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.148 -0.929 . . . . 0.0 110.762 -179.64 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -123.7 147.29 47.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.98 0.419 . . . . 0.0 111.204 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.746 ' O ' HG23 ' B' ' 51' ' ' THR . 0.1 OUTLIER -96.55 108.62 21.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.558 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.619 ' HB ' HG23 ' A' ' 16' ' ' THR . 75.9 t -97.32 116.89 40.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.135 0.493 . . . . 0.0 110.22 179.491 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' B' ' 53' ' ' THR . 62.1 mt -101.86 126.1 55.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.507 -179.085 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.581 HD21 ' CZ ' ' A' ' 34' ' ' PHE . 47.4 mt -107.35 91.93 3.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.24 179.799 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.736 ' O ' ' HA ' ' B' ' 55' ' ' THR . 81.2 m-20 -100.13 109.25 21.52 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.285 -179.087 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.38 -169.76 15.46 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.714 178.837 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -85.68 -53.37 5.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.239 0.543 . . . . 0.0 110.0 179.204 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.596 ' HB ' HG11 ' B' ' 29' ' ' VAL . 10.0 p -98.89 -5.55 30.61 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.78 179.793 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.955 HD13 ' HB ' ' B' ' 18' ' ' THR . 16.4 tp -135.45 135.76 40.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.194 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.515 ' H ' HD12 ' A' ' 12' ' ' LEU . 58.4 mttp -145.03 144.39 30.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.171 179.875 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.552 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -179.68 -168.35 38.37 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 119.911 -1.138 . . . . 0.0 113.596 -179.856 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -145.82 142.38 28.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.956 0.407 . . . . 0.0 110.81 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.719 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -141.38 169.09 18.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.815 -179.652 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.455 ' O ' HD12 ' B' ' 12' ' ' LEU . 67.9 p -143.42 121.97 12.48 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -178.589 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.954 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.6 t -108.97 146.13 34.35 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.588 178.451 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -107.33 116.28 31.66 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 179.666 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.73 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -145.05 149.29 34.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.145 0.498 . . . . 0.0 111.85 -179.556 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.5 t -50.97 -26.68 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.802 -179.012 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.479 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -155.89 178.41 10.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.866 0.365 . . . . 0.0 111.467 179.636 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.92 99.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.431 -179.62 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.51 -54.84 37.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.088 179.354 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.851 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.9 p -50.5 -45.34 56.38 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.283 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.779 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -58.44 -51.63 69.05 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.284 177.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.66 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 17.0 tp10 -50.09 -51.19 44.79 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.743 179.127 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -64.39 -49.25 72.33 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 179.475 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 25' ' ' THR . 63.7 t -54.97 -41.78 60.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.02 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 26' ' ' ALA . 66.6 t -66.68 -49.51 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 177.685 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.66 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 4.3 mmmp? -46.77 -49.28 20.02 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.484 178.625 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.473 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 7.5 tp60 -61.39 -34.44 75.33 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.277 -179.126 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.845 ' CG ' HD23 ' B' ' 12' ' ' LEU . 24.8 t80 -51.61 -72.21 0.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.11 179.206 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.581 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 31.3 m-85 -61.61 -37.47 84.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.616 ' ND2' HG22 ' B' ' 39' ' ' VAL . 28.4 t-20 -51.27 -38.67 54.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.434 0.635 . . . . 0.0 109.793 178.655 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.52 -24.12 17.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.525 -179.892 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' GLY . 85.0 m-20 -80.15 -43.18 22.06 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.014 0.435 . . . . 0.0 110.351 179.795 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.88 -114.6 0.0 OUTLIER Glycine 0 CA--C 1.521 0.411 0 CA-C-N 114.676 -1.147 . . . . 0.0 115.785 -179.847 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.611 HG22 ' ND2' ' B' ' 35' ' ' ASN . 96.2 t -82.01 -55.38 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 -176.041 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -89.9 25.48 2.08 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -177.29 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.1 144.5 47.98 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.163 -1.018 . . . . 0.0 112.407 179.537 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -80.85 93.55 6.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.754 0.311 . . . . 0.0 110.328 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.611 ' CH2' HG12 ' B' ' 30' ' ' VAL . 6.1 m0 -106.52 133.9 50.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.959 -178.873 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.0 p -113.13 143.88 43.61 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 177.806 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 9.5 t80 -112.72 142.85 44.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.066 0.46 . . . . 0.0 111.906 -178.599 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -123.32 85.45 2.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.488 179.509 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 13.7 m-20 -46.73 -38.21 9.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.798 -179.374 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.86 -31.99 13.32 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.066 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.9 p -128.39 12.43 6.48 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.843 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 mttt 47.98 35.46 5.08 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.899 0.381 . . . . 0.0 110.655 -179.557 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.742 HG23 ' O ' ' B' ' 4' ' ' LYS . 87.4 m -116.75 141.7 47.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.454 -179.325 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.494 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.0 m-85 -112.48 144.47 41.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.97 179.377 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 3.1 p -122.35 128.8 51.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.145 0.498 . . . . 0.0 111.579 179.486 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.477 HG22 ' CG ' ' A' ' 43' ' ' TRP . 59.0 t -108.07 112.39 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.164 179.388 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.737 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 45.5 m -103.75 118.35 36.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.67 -179.059 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' OE1' ' C ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.482 -179.87 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.4 mtp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.932 0.396 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -105.95 142.82 35.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.954 179.168 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -123.6 147.38 47.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.006 0.431 . . . . 0.0 111.182 -179.748 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.742 ' O ' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -96.63 108.66 21.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.565 179.927 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.622 ' HB ' HG23 ' B' ' 16' ' ' THR . 73.7 t -97.31 116.91 40.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.089 0.471 . . . . 0.0 110.247 179.467 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 53' ' ' THR . 62.7 mt -101.88 126.12 55.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.506 -179.021 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.582 HD21 ' CZ ' ' B' ' 34' ' ' PHE . 48.1 mt -107.46 92.08 3.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.117 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.737 ' O ' ' HA ' ' A' ' 55' ' ' THR . 81.2 m-20 -100.22 109.28 21.52 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.222 -179.069 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.46 -169.59 15.37 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.689 178.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' B' ' 10' ' ' LYS . 0.7 OUTLIER -85.77 -53.43 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.224 0.535 . . . . 0.0 109.901 179.303 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.587 ' HB ' HG11 ' A' ' 29' ' ' VAL . 10.1 p -98.97 -5.48 30.48 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.744 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.954 HD13 ' HB ' ' A' ' 18' ' ' THR . 16.2 tp -135.51 135.72 40.65 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.017 0.437 . . . . 0.0 111.159 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.511 ' H ' HD12 ' B' ' 12' ' ' LEU . 58.5 mttp -144.95 144.54 31.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.112 179.793 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.55 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -179.69 -168.34 38.36 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 119.889 -1.148 . . . . 0.0 113.632 -179.856 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -145.86 142.29 28.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.936 0.398 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.715 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -141.41 169.02 18.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.883 -179.656 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.452 ' O ' HD12 ' A' ' 12' ' ' LEU . 66.6 p -143.39 122.02 12.54 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.632 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.955 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.6 t -108.83 146.1 34.2 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.74 178.421 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -107.34 116.31 31.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 179.745 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.728 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -145.17 149.25 34.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.203 0.525 . . . . 0.0 111.789 -179.526 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.8 t -50.98 -26.71 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.753 -178.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.479 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -155.75 178.5 10.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.796 0.331 . . . . 0.0 111.533 179.559 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.07 99.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.346 -179.676 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.46 -54.93 36.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.936 179.532 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.847 ' O ' HG23 ' B' ' 29' ' ' VAL . 52.2 p -50.47 -45.39 56.17 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.351 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.785 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -58.55 -51.58 69.27 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.211 178.108 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.663 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 17.0 tp10 -50.12 -51.22 44.85 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.699 179.131 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -64.31 -49.34 72.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.752 179.43 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.847 HG23 ' O ' ' B' ' 25' ' ' THR . 62.9 t -55.07 -41.66 60.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.05 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.785 HG23 ' O ' ' B' ' 26' ' ' ALA . 66.6 t -66.66 -49.49 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 177.665 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.663 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 4.2 mmmp? -46.84 -49.31 20.31 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.463 178.672 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.477 ' HA ' ' NE2' ' B' ' 32' ' ' GLN . 7.7 tp60 -61.27 -34.53 75.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.294 -179.175 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.841 ' CG ' HD23 ' A' ' 12' ' ' LEU . 24.3 t80 -51.57 -72.32 0.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.141 179.202 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.582 ' CZ ' HD21 ' B' ' 7' ' ' LEU . 31.1 m-85 -61.52 -37.38 83.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.986 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.611 ' ND2' HG22 ' A' ' 39' ' ' VAL . 28.2 t-20 -51.24 -38.86 54.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.506 0.67 . . . . 0.0 109.733 178.642 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.5 -24.07 17.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.749 -1.114 . . . . 0.0 112.496 -179.773 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' B' ' 38' ' ' GLY . 84.9 m-20 -80.13 -43.29 21.91 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.089 0.471 . . . . 0.0 110.29 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.85 -114.58 0.0 OUTLIER Glycine 0 CA--C 1.52 0.405 0 CA-C-N 114.752 -1.113 . . . . 0.0 115.824 -179.837 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.616 HG22 ' ND2' ' A' ' 35' ' ' ASN . 96.2 t -82.06 -55.46 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 -175.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -89.78 25.32 2.09 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -177.315 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.99 144.5 48.15 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.091 -1.052 . . . . 0.0 112.473 179.531 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -80.78 93.59 6.25 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.742 0.306 . . . . 0.0 110.394 179.475 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.606 ' CH2' HG12 ' A' ' 30' ' ' VAL . 6.0 m0 -106.56 133.95 50.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.009 -178.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 44.7 p -113.09 143.82 43.69 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.83 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.492 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 9.4 t80 -112.69 142.87 44.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.07 0.462 . . . . 0.0 112.03 -178.673 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -123.22 85.45 2.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.473 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.418 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 13.6 m-20 -46.64 -38.34 9.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.804 -179.417 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.9 -31.98 13.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 112.044 -178.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 67.9 p -128.31 12.43 6.52 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.874 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 28.1 mttt 47.99 35.47 5.1 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.903 0.382 . . . . 0.0 110.625 -179.536 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 4' ' ' LYS . 87.3 m -116.74 141.65 47.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.516 -179.347 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.492 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 2.0 m-85 -112.4 144.53 41.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.965 179.373 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.1 p -122.3 128.95 51.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.029 0.442 . . . . 0.0 111.554 179.449 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.481 HG22 ' CG ' ' B' ' 43' ' ' TRP . 60.4 t -108.22 112.37 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.074 179.445 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.736 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 46.3 m -103.69 118.48 36.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.695 -179.156 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.415 ' C ' ' OE1' ' B' ' 56' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.523 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? . . . . . 0 CA--C 1.527 0.078 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -125.42 142.05 51.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.818 0.342 . . . . 0.0 110.785 -179.736 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.853 ' O ' HG23 ' B' ' 51' ' ' THR . 4.8 ttmp? -105.54 112.73 25.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.956 -179.744 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.697 HG21 HG21 ' A' ' 30' ' ' VAL . 69.7 t -95.28 133.26 36.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.117 0.484 . . . . 0.0 110.473 179.56 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.559 ' HB ' HG22 ' B' ' 53' ' ' THR . 70.0 mt -107.98 124.48 64.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.158 -179.299 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.494 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 15.9 mt -105.67 84.8 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.122 0.487 . . . . 0.0 110.218 -179.814 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.769 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.5 m120 -93.81 108.82 20.54 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.359 -179.158 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.55 -167.47 14.7 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.043 178.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.63 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.1 mmpt? -82.3 -54.97 4.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.081 0.467 . . . . 0.0 110.127 179.52 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.462 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 14.5 p -102.64 -0.97 31.04 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.304 -179.74 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.931 HD13 ' HB ' ' B' ' 18' ' ' THR . 24.6 tp -137.0 136.61 38.62 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.102 0.477 . . . . 0.0 111.478 -179.499 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.467 ' H ' HD12 ' A' ' 12' ' ' LEU . 96.0 mttt -145.25 145.27 31.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.157 179.496 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.511 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.34 -176.69 43.82 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 119.896 -1.145 . . . . 0.0 113.499 -179.695 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -136.56 135.05 38.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.31 . . . . 0.0 110.283 179.52 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.795 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -135.34 167.0 21.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.053 -179.713 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.495 ' O ' HD12 ' B' ' 12' ' ' LEU . 69.4 p -143.72 122.8 12.87 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.807 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.949 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.2 t -111.55 145.9 38.28 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.498 178.562 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -107.91 117.11 33.26 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 179.796 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.634 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -146.75 152.39 38.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.199 0.523 . . . . 0.0 111.835 -179.412 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.7 t -50.61 -25.29 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.946 -178.787 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.645 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -157.15 174.91 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 111.318 179.307 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.551 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -60.2 -41.87 93.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.521 -179.454 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.6 -54.11 41.08 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.35 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.846 ' O ' HG23 ' A' ' 29' ' ' VAL . 58.6 p -50.13 -45.55 53.07 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.378 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.847 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.44 -49.99 75.38 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.704 178.317 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.485 ' OE2' ' HG3' ' A' ' 31' ' ' LYS . 4.2 tm-20 -55.63 -45.18 77.63 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.627 179.746 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HD2' ' OE1' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -68.07 -47.7 67.59 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.446 179.129 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 25' ' ' THR . 88.9 t -55.35 -41.79 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.565 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 26' ' ' ALA . 99.5 t -63.47 -45.42 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.07 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.485 ' HG3' ' OE2' ' A' ' 27' ' ' GLU . 79.9 mttt -48.64 -47.24 40.51 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-O 121.129 0.49 . . . . 0.0 110.37 178.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.3 -36.36 75.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.862 179.28 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.872 ' CG ' HD23 ' B' ' 12' ' ' LEU . 36.2 t80 -51.75 -69.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.999 179.183 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.417 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 32.2 m-85 -64.19 -37.62 88.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.957 179.76 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.708 ' ND2' HG22 ' B' ' 39' ' ' VAL . 25.0 t-20 -51.41 -38.88 55.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.497 0.665 . . . . 0.0 110.092 178.828 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -94.64 -23.58 17.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.397 -179.85 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 38' ' ' GLY . 85.4 m-20 -79.43 -45.29 19.75 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.243 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.36 -117.21 0.0 OUTLIER Glycine 0 CA--C 1.519 0.327 0 CA-C-N 114.48 -1.236 . . . . 0.0 116.071 179.645 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.714 HG22 ' ND2' ' B' ' 35' ' ' ASN . 48.2 t -81.88 -55.55 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -175.88 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -90.98 27.13 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -177.12 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.73 150.84 52.17 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.05 -1.071 . . . . 0.0 112.2 179.331 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -81.22 94.49 6.7 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.343 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.549 ' CH2' HG12 ' B' ' 30' ' ' VAL . 8.4 m0 -101.22 122.36 43.5 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -178.367 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -106.9 138.95 42.1 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.641 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 12.4 t80 -111.73 140.93 45.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.011 0.434 . . . . 0.0 111.927 -178.665 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.464 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.7 t0 -123.5 81.93 1.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.196 178.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.98 -36.15 16.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.51 -179.526 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.464 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -51.26 -32.0 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.667 -179.632 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.1 p -122.04 11.95 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.575 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp 48.66 36.43 7.72 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.634 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.86 HG23 ' O ' ' B' ' 4' ' ' LYS . 99.1 m -129.48 140.67 51.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.016 0.436 . . . . 0.0 111.353 -179.017 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.552 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 2.1 m-85 -108.75 146.52 33.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.422 178.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.554 HG22 ' HB ' ' B' ' 6' ' ' ILE . 2.9 p -122.71 127.56 49.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.34 0.59 . . . . 0.0 112.227 179.781 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.5 t -107.38 115.73 49.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.232 -0.895 . . . . 0.0 108.975 178.356 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.764 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 4.9 m -111.79 123.17 49.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.09 0.471 . . . . 0.0 112.119 -178.457 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.046 179.731 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.468 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 28.0 ttt . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.935 0.398 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.468 ' N ' ' HG2' ' B' ' 1' ' ' MET . 5.3 tm0? -95.79 128.9 43.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.089 179.342 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' B' ' 1' ' ' MET . 72.9 m-85 -125.39 142.08 51.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.804 0.335 . . . . 0.0 110.735 -179.728 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.86 ' O ' HG23 ' A' ' 51' ' ' THR . 4.8 ttmp? -105.59 112.78 25.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.055 -179.874 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.69 HG21 HG21 ' B' ' 30' ' ' VAL . 69.1 t -95.28 133.22 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.513 179.613 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.554 ' HB ' HG22 ' A' ' 53' ' ' THR . 69.1 mt -107.99 124.53 64.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.146 -179.281 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 15.9 mt -105.61 84.76 2.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.05 0.452 . . . . 0.0 110.3 -179.836 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.764 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.5 m120 -93.85 108.92 20.64 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.319 -179.036 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.56 -167.42 14.68 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.126 178.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.631 ' HE2' ' HA ' ' B' ' 10' ' ' LYS . 7.1 mmpt? -82.43 -55.01 4.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.086 0.469 . . . . 0.0 110.097 179.503 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.464 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 14.6 p -102.58 -1.02 31.14 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.305 -179.81 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.949 HD13 ' HB ' ' A' ' 18' ' ' THR . 24.6 tp -136.98 136.65 38.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.057 0.456 . . . . 0.0 111.531 -179.561 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.472 ' H ' HD12 ' B' ' 12' ' ' LEU . 96.0 mttt -145.27 145.24 31.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.079 179.563 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.31 -176.71 43.81 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 119.979 -1.105 . . . . 0.0 113.558 -179.733 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -136.63 135.09 38.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.91 0.386 . . . . 0.0 110.212 179.53 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.79 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -135.39 166.99 21.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.033 -179.727 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.486 ' O ' HD12 ' A' ' 12' ' ' LEU . 70.2 p -143.64 122.76 12.9 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -178.768 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.931 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.1 t -111.51 145.99 38.07 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.449 178.604 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -107.89 117.0 32.97 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 179.724 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.634 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -146.71 152.52 38.96 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.146 0.498 . . . . 0.0 111.912 -179.495 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 27.1 t -50.56 -25.37 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.923 -178.784 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.643 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -157.13 174.87 14.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.891 0.377 . . . . 0.0 111.326 179.388 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.552 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -60.18 -41.82 93.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.487 -179.51 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.74 -54.2 39.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.497 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.847 ' O ' HG23 ' B' ' 29' ' ' VAL . 59.3 p -50.09 -45.58 52.71 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.413 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.857 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.35 -50.09 75.01 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.754 178.291 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.484 ' OE2' ' HG3' ' B' ' 31' ' ' LYS . 4.2 tm-20 -55.65 -45.09 77.71 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.747 179.704 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.452 ' HD2' ' OE1' ' B' ' 27' ' ' GLU . 0.3 OUTLIER -68.03 -47.82 67.37 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.363 179.044 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.847 HG23 ' O ' ' B' ' 25' ' ' THR . 88.9 t -55.4 -41.82 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.676 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.857 HG23 ' O ' ' B' ' 26' ' ' ALA . 100.0 t -63.4 -45.4 98.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.064 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.484 ' HG3' ' OE2' ' B' ' 27' ' ' GLU . 79.9 mttt -48.57 -47.22 39.7 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 121.106 0.479 . . . . 0.0 110.362 178.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.31 -36.38 75.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.835 179.328 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.871 ' CG ' HD23 ' A' ' 12' ' ' LEU . 36.3 t80 -51.81 -69.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.972 179.275 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.417 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 32.2 m-85 -64.2 -37.66 88.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.997 179.71 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.714 ' ND2' HG22 ' A' ' 39' ' ' VAL . 25.1 t-20 -51.29 -38.95 55.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.471 0.653 . . . . 0.0 110.124 178.764 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -94.67 -23.5 17.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.352 -179.776 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' B' ' 38' ' ' GLY . 85.5 m-20 -79.54 -45.12 19.87 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.229 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.53 -117.25 0.0 OUTLIER Glycine 0 CA--C 1.52 0.386 0 CA-C-N 114.419 -1.264 . . . . 0.0 116.014 179.719 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.708 HG22 ' ND2' ' A' ' 35' ' ' ASN . 48.4 t -81.86 -55.61 7.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 -175.736 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -90.91 27.19 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.208 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.78 150.92 52.23 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.068 -1.063 . . . . 0.0 112.16 179.386 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.492 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 0.4 OUTLIER -81.46 94.53 6.85 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.458 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.553 ' CH2' HG12 ' A' ' 30' ' ' VAL . 8.4 m0 -101.16 122.38 43.52 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.407 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 67.3 p -106.95 138.98 42.1 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.711 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.495 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 12.2 t80 -111.79 141.08 45.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.994 0.426 . . . . 0.0 111.944 -178.654 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.454 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.8 t0 -123.55 81.86 1.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.187 179.095 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.02 -36.15 17.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.428 -179.486 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.454 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -51.28 -31.96 23.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.655 -179.568 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 81.1 p -122.11 12.04 10.29 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.616 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp 48.54 36.39 7.41 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.927 0.394 . . . . 0.0 110.789 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.853 HG23 ' O ' ' A' ' 4' ' ' LYS . 99.0 m -129.43 140.67 51.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.45 -179.045 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.551 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 2.2 m-85 -108.76 146.49 33.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.347 179.058 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.559 HG22 ' HB ' ' A' ' 6' ' ' ILE . 2.9 p -122.67 127.56 49.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.355 0.598 . . . . 0.0 112.231 179.741 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.5 t -107.31 115.62 49.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.0 178.376 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.769 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 5.0 m -111.76 123.32 49.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.132 0.491 . . . . 0.0 112.088 -178.478 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.946 179.823 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 N--CA 1.455 -0.187 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.409 ' O ' ' HA ' ' A' ' 17' ' ' THR . 73.7 m-85 -127.26 145.57 50.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.814 0.34 . . . . 0.0 111.188 -179.426 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.541 ' O ' HG23 ' B' ' 51' ' ' THR . 24.5 ttmm -109.41 107.95 18.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.26 179.639 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.602 ' HB ' HG23 ' A' ' 16' ' ' THR . 62.1 t -94.24 133.87 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.028 0.442 . . . . 0.0 110.897 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.764 HG22 ' OD1' ' A' ' 8' ' ' ASN . 61.3 mt -106.16 129.16 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.055 179.743 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.416 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.0 mt -105.9 93.42 4.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.874 -178.632 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.764 ' OD1' HG22 ' A' ' 6' ' ' ILE . 6.4 m120 -98.71 105.54 17.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.49 -179.627 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.05 -170.01 19.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.464 179.841 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG2' ' CD ' ' B' ' 56' ' ' GLU . 72.7 mmtt -68.89 -53.03 23.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.878 0.37 . . . . 0.0 111.457 -179.735 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.495 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 17.9 p -121.3 17.57 11.47 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -178.933 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.996 HD13 ' HB ' ' B' ' 18' ' ' THR . 27.0 tp -141.04 140.27 34.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.006 0.432 . . . . 0.0 110.879 -179.163 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.509 ' H ' HD12 ' A' ' 12' ' ' LEU . 6.9 mptt -145.11 147.71 32.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.315 179.708 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.33 -174.3 41.82 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 119.928 -1.129 . . . . 0.0 113.366 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -141.88 133.68 27.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.023 0.44 . . . . 0.0 110.32 179.636 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.752 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -133.92 168.05 19.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.134 -179.604 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 4' ' ' LYS . 46.1 p -143.44 119.56 10.75 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.792 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.995 ' HB ' HD13 ' B' ' 12' ' ' LEU . 15.0 t -109.04 144.47 37.01 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.693 178.754 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -104.95 116.36 31.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.549 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -148.13 151.67 36.0 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.291 0.567 . . . . 0.0 111.979 -179.579 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.5 t -50.84 -26.1 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.991 -178.795 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.585 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -157.42 175.08 14.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.0 111.347 179.448 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.94 -42.55 94.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.424 -179.589 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.79 -54.47 38.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.006 179.49 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.908 ' O ' HG23 ' A' ' 29' ' ' VAL . 48.9 p -51.42 -45.96 62.77 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.411 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.9 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.54 -52.43 65.58 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.482 ' HG3' ' HE3' ' A' ' 31' ' ' LYS . 37.3 tp10 -51.55 -47.67 63.35 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.503 178.901 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -64.16 -46.1 85.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.469 179.46 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 25' ' ' THR . 74.1 t -58.4 -41.13 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.21 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 26' ' ' ALA . 21.3 t -61.43 -44.58 98.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.625 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.493 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 22.7 mmtp -46.66 -50.24 18.01 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.247 0.546 . . . . 0.0 109.917 179.212 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.454 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -58.91 -35.72 73.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.683 179.047 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.982 ' CG ' HD23 ' B' ' 12' ' ' LEU . 54.3 t80 -55.07 -62.46 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.376 179.546 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.411 ' HB3' ' HA2' ' B' ' 38' ' ' GLY . 27.5 m-85 -70.04 -39.01 76.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.682 179.31 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.465 ' ND2' HG21 ' B' ' 39' ' ' VAL . 31.0 t-20 -50.43 -38.7 44.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.605 0.717 . . . . 0.0 109.927 178.597 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.39 -22.89 18.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.86 -1.064 . . . . 0.0 112.507 -179.744 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.501 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.4 m-20 -81.92 -46.83 13.52 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.145 179.424 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.51 -115.1 0.0 OUTLIER Glycine 0 C--N 1.333 0.395 0 N-CA-C 115.494 0.958 . . . . 0.0 115.494 179.723 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 39' ' ' VAL . 22.0 t -110.37 5.24 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -176.361 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.99 12.5 8.38 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.697 -0.627 . . . . 0.0 112.04 -179.891 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.75 174.86 53.17 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.122 -179.593 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 46.6 mp0 -100.0 102.74 14.19 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.491 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.536 ' HH2' HG12 ' B' ' 30' ' ' VAL . 7.8 m0 -96.63 118.39 33.01 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.415 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.4 p -102.61 133.38 47.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.074 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.525 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 9.2 t80 -104.96 139.74 39.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.361 . . . . 0.0 111.706 -178.552 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -123.22 81.31 1.87 Allowed 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.649 179.525 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.64 -36.79 25.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.465 -179.605 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.13 -31.73 14.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.168 -179.268 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.9 p -128.23 12.7 6.6 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.627 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.481 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER 54.38 31.92 15.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.9 0.381 . . . . 0.0 110.335 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.545 HG23 ' O ' ' B' ' 4' ' ' LYS . 51.7 m -111.45 154.04 25.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.223 -178.758 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.596 ' O ' HG13 ' B' ' 5' ' ' VAL . 3.4 m-85 -129.2 95.03 3.94 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 121.225 0.535 . . . . 0.0 112.106 179.636 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.4 p -72.74 127.9 33.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.873 178.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.0 t -117.7 119.2 60.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.834 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.639 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 28.6 m -102.67 113.8 27.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.063 179.565 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' CD ' ' HG2' ' B' ' 10' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.221 -178.658 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.439 ' HB3' ' CE1' ' B' ' 3' ' ' TYR . 12.0 ttm . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.777 0.322 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -97.0 135.64 38.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.431 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.439 ' CE1' ' HB3' ' B' ' 1' ' ' MET . 74.1 m-85 -127.25 145.44 50.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.799 0.333 . . . . 0.0 111.214 -179.381 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.545 ' O ' HG23 ' A' ' 51' ' ' THR . 24.5 ttmm -109.39 107.95 18.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.302 179.58 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.598 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.6 t -94.22 133.87 33.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.092 0.472 . . . . 0.0 110.79 -179.64 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.762 HG22 ' OD1' ' B' ' 8' ' ' ASN . 61.3 mt -106.23 129.24 59.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.089 179.628 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.1 mt -106.0 93.5 4.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.884 -178.589 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.762 ' OD1' HG22 ' B' ' 6' ' ' ILE . 6.4 m120 -98.72 105.49 17.64 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.423 -179.53 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.99 -170.0 19.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.424 179.786 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.408 ' HG2' ' CD ' ' A' ' 56' ' ' GLU . 72.7 mmtt -68.93 -52.98 23.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.822 0.344 . . . . 0.0 111.415 -179.653 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.493 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 18.0 p -121.34 17.61 11.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.077 -178.9 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.995 HD13 ' HB ' ' A' ' 18' ' ' THR . 27.0 tp -141.13 140.23 34.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.953 0.406 . . . . 0.0 110.869 -179.171 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.507 ' H ' HD12 ' B' ' 12' ' ' LEU . 6.9 mptt -145.11 147.57 32.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.283 179.788 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.494 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.24 -174.29 41.73 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.044 -1.074 . . . . 0.0 113.447 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -141.7 133.74 27.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.912 0.387 . . . . 0.0 110.371 179.672 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.738 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -134.05 168.03 19.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.095 -179.564 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.537 HG22 ' HA ' ' B' ' 4' ' ' LYS . 46.2 p -143.53 119.59 10.72 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.849 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.996 ' HB ' HD13 ' A' ' 12' ' ' LEU . 15.0 t -108.84 144.52 36.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.761 178.595 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -104.91 116.27 31.69 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 179.829 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.549 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -148.11 151.62 35.92 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.279 0.562 . . . . 0.0 111.976 -179.537 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 t -50.77 -26.18 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.07 -178.835 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.584 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -157.35 175.05 14.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 111.321 179.485 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.53 94.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.421 -179.587 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.7 -54.64 36.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.981 179.467 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.904 ' O ' HG23 ' B' ' 29' ' ' VAL . 51.5 p -51.25 -46.06 62.23 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.378 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.89 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.49 -52.49 65.37 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.033 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.482 ' HG3' ' HE3' ' B' ' 31' ' ' LYS . 37.1 tp10 -51.49 -47.77 63.12 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.422 178.871 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.4 ' HA ' ' HG2' ' B' ' 31' ' ' LYS . 45.3 mmtm -64.12 -46.12 85.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.522 179.555 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.904 HG23 ' O ' ' B' ' 25' ' ' THR . 72.6 t -58.3 -41.24 80.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.251 179.432 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.89 HG23 ' O ' ' B' ' 26' ' ' ALA . 21.4 t -61.45 -44.47 98.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.657 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.493 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 22.8 mmtp -46.71 -50.19 18.31 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 121.262 0.553 . . . . 0.0 109.945 179.177 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.452 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -58.96 -35.63 73.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.708 178.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.984 ' CG ' HD23 ' A' ' 12' ' ' LEU . 54.5 t80 -55.05 -62.53 1.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.346 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.413 ' HB3' ' HA2' ' A' ' 38' ' ' GLY . 27.5 m-85 -70.11 -38.91 75.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.693 179.382 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.471 ' ND2' HG21 ' A' ' 39' ' ' VAL . 31.2 t-20 -50.37 -38.82 44.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.481 0.658 . . . . 0.0 109.947 178.509 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.31 -22.74 18.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.544 -179.76 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.504 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.5 m-20 -82.04 -46.87 13.33 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.045 179.451 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.5 -115.03 0.0 OUTLIER Glycine 0 C--N 1.334 0.417 0 N-CA-C 115.476 0.95 . . . . 0.0 115.476 179.798 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.645 HG12 ' O ' ' B' ' 39' ' ' VAL . 22.2 t -110.49 5.18 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -176.154 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.04 12.51 8.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 118.495 0.589 . . . . 0.0 112.032 -179.803 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.82 174.96 53.15 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.073 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.453 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 46.2 mp0 -100.17 102.68 14.05 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.484 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.541 ' HH2' HG12 ' A' ' 30' ' ' VAL . 7.7 m0 -96.39 118.34 32.71 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.409 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 45.4 p -102.57 133.41 47.6 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.033 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.521 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 9.3 t80 -104.96 139.6 39.42 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.628 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.14 81.36 1.87 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.935 0.398 . . . . 0.0 110.656 179.543 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.74 -36.6 26.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.544 -179.618 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.16 -31.79 14.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.131 -179.305 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -128.25 12.67 6.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.472 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.479 ' HA ' ' HE3' ' B' ' 50' ' ' LYS . 0.0 OUTLIER 54.41 31.79 15.28 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.831 0.348 . . . . 0.0 110.333 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 4' ' ' LYS . 51.5 m -111.39 154.1 25.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.215 -178.696 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.591 ' O ' HG13 ' A' ' 5' ' ' VAL . 3.4 m-85 -129.26 94.98 3.92 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.252 0.548 . . . . 0.0 112.116 179.636 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.4 p -72.77 127.91 33.94 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.802 178.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -117.64 119.12 60.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.636 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 28.5 m -102.62 113.8 27.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.161 179.493 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.41 ' CD ' ' HG2' ' A' ' 10' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.208 -178.644 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.66 0.267 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -123.9 148.41 46.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.577 179.584 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.563 ' O ' HG23 ' B' ' 51' ' ' THR . 62.8 tttm -106.28 104.72 14.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.905 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.708 HG21 HG21 ' A' ' 30' ' ' VAL . 93.2 t -94.69 129.35 45.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.642 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.764 HG22 ' OD1' ' A' ' 8' ' ' ASN . 67.7 mt -110.33 131.66 60.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.575 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.518 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 17.1 mt -108.03 92.76 4.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.317 -179.49 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.764 ' OD1' HG22 ' A' ' 6' ' ' ILE . 5.9 m120 -96.44 107.12 19.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.055 -178.789 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.47 -175.08 20.03 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.294 179.232 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -78.65 -54.33 6.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.263 0.554 . . . . 0.0 109.723 179.204 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.473 ' HB ' HG11 ' B' ' 29' ' ' VAL . 3.0 p -103.01 1.03 32.98 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.223 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.955 HD13 ' HB ' ' B' ' 18' ' ' THR . 28.4 tp -136.74 139.73 42.09 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.058 0.456 . . . . 0.0 111.41 -179.54 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.506 ' H ' HD12 ' A' ' 12' ' ' LEU . 49.5 mtmt -145.19 141.9 29.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.411 179.892 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.471 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.54 -173.65 41.45 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.119 -1.039 . . . . 0.0 113.564 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.439 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 52.0 mp0 -139.69 150.83 45.34 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.527 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.791 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -151.25 166.8 29.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.182 -179.342 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 4' ' ' LYS . 68.0 p -143.51 121.36 11.98 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -179.019 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.971 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.6 t -109.59 145.34 36.56 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.719 178.704 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -106.38 118.15 35.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.73 0.3 . . . . 0.0 110.675 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.523 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -149.4 151.8 34.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.116 0.484 . . . . 0.0 111.992 -179.633 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.2 t -50.98 -26.4 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.785 -179.074 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.464 ' OD1' HG23 ' A' ' 25' ' ' THR . 5.8 p-10 -155.11 174.02 15.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.864 0.364 . . . . 0.0 111.475 179.468 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.483 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -59.43 -42.63 92.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.05 -179.704 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.29 -55.81 24.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.547 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.877 ' O ' HG23 ' A' ' 29' ' ' VAL . 29.6 p -51.23 -44.37 61.66 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.26 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.751 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.79 -52.7 63.96 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.179 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -52.65 -47.26 67.22 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.58 179.116 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.58 -44.43 96.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.044 179.495 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 25' ' ' THR . 91.5 t -60.48 -39.05 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.172 179.194 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 26' ' ' ALA . 47.0 t -67.15 -49.54 71.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 178.414 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -47.4 -46.21 25.91 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 121.254 0.549 . . . . 0.0 109.828 178.494 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -61.14 -35.41 77.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.436 179.63 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.861 ' CG ' HD23 ' B' ' 12' ' ' LEU . 46.7 t80 -55.35 -61.73 2.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.197 179.059 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -68.94 -40.89 78.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.659 179.47 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.529 ' ND2' HG22 ' B' ' 39' ' ' VAL . 27.6 t-20 -50.19 -37.29 34.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.623 0.725 . . . . 0.0 109.667 178.467 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -94.5 -23.82 17.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.641 -1.163 . . . . 0.0 112.452 -179.779 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.45 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.2 m-20 -81.44 -46.6 14.34 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.043 0.449 . . . . 0.0 110.006 179.379 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.2 -114.44 0.0 OUTLIER Glycine 0 CA--C 1.52 0.373 0 N-CA-C 115.962 1.145 . . . . 0.0 115.962 -179.905 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.527 HG22 ' ND2' ' B' ' 35' ' ' ASN . 90.4 t -82.88 -55.27 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -175.891 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -90.7 26.87 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -176.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.46 162.87 54.28 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 119.916 -1.135 . . . . 0.0 111.879 179.124 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -91.56 96.63 10.58 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 117.012 0.406 . . . . 0.0 110.348 179.791 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.586 ' CH2' HG12 ' B' ' 30' ' ' VAL . 7.6 m95 -97.12 118.12 32.82 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.381 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.3 p -107.18 136.96 46.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.025 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.466 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 7.6 t80 -109.28 141.78 41.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 0.0 111.428 -179.217 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.48 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 65.2 t0 -123.23 83.44 2.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 53.7 m-20 -46.78 -37.04 8.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.424 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.48 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.97 -35.56 24.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.03 -179.262 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.4 p -128.05 12.63 6.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.673 -179.777 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.406 ' NZ ' ' CB ' ' A' ' 50' ' ' LYS . 3.0 mtmp? 47.93 39.18 10.47 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.183 0.516 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.597 HG21 ' CD1' ' B' ' 6' ' ' ILE . 97.7 m -113.35 148.01 36.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.999 -179.254 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.485 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 17.9 m-85 -117.0 96.22 5.35 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.51 0.671 . . . . 0.0 111.906 -179.828 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -77.36 121.42 23.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.214 179.27 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.4 t -109.5 109.2 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.374 179.53 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.662 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 34.0 m -101.06 118.69 37.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.597 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.265 -179.068 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.866 0.365 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -104.09 129.21 51.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.044 -179.67 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -123.8 148.39 46.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.644 179.637 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.561 ' O ' HG23 ' A' ' 51' ' ' THR . 62.9 tttm -106.28 104.7 14.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.895 -179.77 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.708 HG21 HG21 ' B' ' 30' ' ' VAL . 92.3 t -94.74 129.35 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.986 0.422 . . . . 0.0 110.603 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.761 HG22 ' OD1' ' B' ' 8' ' ' ASN . 67.1 mt -110.28 131.6 60.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.587 179.887 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 17.1 mt -108.0 92.68 4.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.319 -179.516 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.761 ' OD1' HG22 ' B' ' 6' ' ' ILE . 6.0 m120 -96.37 107.14 19.47 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -178.847 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.45 -175.07 20.04 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.174 179.316 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -78.69 -54.32 6.22 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.277 0.561 . . . . 0.0 109.73 179.15 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.475 ' HB ' HG11 ' A' ' 29' ' ' VAL . 2.9 p -103.12 1.06 32.75 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.13 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.971 HD13 ' HB ' ' A' ' 18' ' ' THR . 28.3 tp -136.71 139.66 42.09 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.062 0.458 . . . . 0.0 111.424 -179.534 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.501 ' H ' HD12 ' B' ' 12' ' ' LEU . 49.6 mtmt -145.14 142.09 29.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.381 179.837 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.472 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.69 -173.72 41.64 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.075 -1.059 . . . . 0.0 113.567 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 51.7 mp0 -139.62 150.9 45.53 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.53 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.788 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -151.32 166.74 30.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.168 -179.247 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.524 HG22 ' HA ' ' B' ' 4' ' ' LYS . 68.5 p -143.52 121.39 11.99 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.955 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.7 t -109.62 145.22 36.8 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.68 178.767 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -106.23 118.11 35.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.653 0.263 . . . . 0.0 110.766 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.52 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -149.47 151.87 34.68 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 121.146 0.498 . . . . 0.0 111.871 -179.642 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.0 t -50.9 -26.49 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.84 -179.109 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.463 ' OD1' HG23 ' B' ' 25' ' ' THR . 5.8 p-10 -155.02 174.1 15.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.88 0.372 . . . . 0.0 111.512 179.455 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.485 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -59.58 -42.43 92.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.725 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.3 -55.88 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.953 179.412 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.873 ' O ' HG23 ' B' ' 29' ' ' VAL . 29.9 p -51.21 -44.31 61.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.268 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.752 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.85 -52.47 64.9 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.29 178.111 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -52.91 -47.11 68.21 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.564 179.049 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.64 -44.38 96.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.045 179.427 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.873 HG23 ' O ' ' B' ' 25' ' ' THR . 92.7 t -60.62 -38.97 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.173 179.255 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.752 HG23 ' O ' ' B' ' 26' ' ' ALA . 47.2 t -67.23 -49.45 72.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.389 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -47.4 -46.21 25.96 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.362 0.601 . . . . 0.0 109.873 178.496 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' B' ' 32' ' ' GLN . 3.1 tp-100 -61.11 -35.35 76.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.456 179.625 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.862 ' CG ' HD23 ' A' ' 12' ' ' LEU . 47.2 t80 -55.52 -61.72 2.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.134 179.124 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -69.02 -40.77 78.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.604 179.492 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.527 ' ND2' HG22 ' A' ' 39' ' ' VAL . 27.7 t-20 -50.24 -37.27 34.78 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.682 0.753 . . . . 0.0 109.659 178.459 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -94.5 -23.85 17.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.7 -1.136 . . . . 0.0 112.498 -179.793 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.449 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.1 m-20 -81.43 -46.4 14.64 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.034 0.445 . . . . 0.0 110.101 179.32 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.45 -114.43 0.0 OUTLIER Glycine 0 CA--C 1.52 0.362 0 N-CA-C 115.978 1.151 . . . . 0.0 115.978 -179.899 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.529 HG22 ' ND2' ' A' ' 35' ' ' ASN . 91.1 t -82.86 -55.19 7.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -175.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -90.58 26.85 1.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 -177.14 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.45 162.75 54.27 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 119.953 -1.118 . . . . 0.0 111.902 179.135 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -91.42 96.58 10.59 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 117.028 0.414 . . . . 0.0 110.378 179.756 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.58 ' CH2' HG12 ' A' ' 30' ' ' VAL . 7.5 m95 -96.97 117.99 32.37 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.47 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.2 p -107.18 137.06 45.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.091 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.465 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 7.7 t80 -109.4 141.67 41.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.846 0.355 . . . . 0.0 111.37 -179.143 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.483 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 65.4 t0 -123.16 83.5 2.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.004 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 53.9 m-20 -46.82 -36.96 7.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.373 -179.901 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.483 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.13 -35.5 26.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.005 -179.264 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 74.2 p -127.96 12.56 6.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.668 -179.793 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.403 ' CB ' ' NZ ' ' B' ' 50' ' ' LYS . 2.9 mtmp? 47.91 39.15 10.36 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.192 0.52 . . . . 0.0 110.903 -179.894 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.587 HG21 ' CD1' ' A' ' 6' ' ' ILE . 97.6 m -113.25 147.95 36.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.08 -179.245 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.483 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 18.1 m-85 -116.9 96.22 5.37 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.369 0.604 . . . . 0.0 111.911 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -77.35 121.47 23.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.203 179.27 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 64.6 t -109.56 109.23 27.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.32 179.539 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.667 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 34.2 m -100.98 118.62 37.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.934 -179.644 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.358 -179.14 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 N--CA 1.461 0.098 0 CA-C-O 121.005 0.431 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.466 ' CD2' ' HE2' ' B' ' 50' ' ' LYS . 10.1 m-85 -132.5 151.64 51.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.289 179.542 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.783 ' O ' HG23 ' B' ' 51' ' ' THR . 87.8 tttt -109.59 109.84 20.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 111.411 -179.559 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.766 HG21 HG21 ' A' ' 30' ' ' VAL . 72.6 t -94.86 136.0 27.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.103 179.399 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.781 HG22 ' OD1' ' A' ' 8' ' ' ASN . 78.1 mt -114.84 135.35 54.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.049 -179.197 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.496 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 13.9 mt -113.2 104.99 12.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.698 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.781 ' OD1' HG22 ' A' ' 6' ' ' ILE . 6.2 m120 -109.11 107.83 18.28 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.496 -179.574 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.52 -166.19 15.42 Favored Glycine 0 CA--C 1.51 -0.237 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.279 179.343 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -75.71 -55.37 5.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.915 0.388 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.463 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 15.3 p -110.17 8.8 23.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.648 -179.083 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.968 HD13 ' HB ' ' B' ' 18' ' ' THR . 26.7 tp -140.12 138.32 35.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.029 0.442 . . . . 0.0 111.654 -179.402 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.478 ' H ' HD12 ' A' ' 12' ' ' LEU . 52.0 mtmt -145.77 148.1 32.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.105 179.051 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -176.2 -173.29 41.72 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 119.84 -1.172 . . . . 0.0 113.835 -179.938 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.438 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 51.3 mp0 -140.09 137.62 34.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.824 0.345 . . . . 0.0 110.293 179.827 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.745 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -138.88 168.88 18.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.429 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.531 HG22 ' HA ' ' A' ' 4' ' ' LYS . 48.8 p -143.4 120.11 11.16 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -178.76 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.982 ' HB ' HD13 ' B' ' 12' ' ' LEU . 15.1 t -108.14 142.72 37.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.591 178.549 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -104.87 115.85 31.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.534 0.207 . . . . 0.0 110.64 179.803 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.53 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.04 154.91 39.98 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 121.255 0.55 . . . . 0.0 112.057 -179.632 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.0 t -50.53 -24.33 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.166 -178.581 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.45 ' OD2' ' HB3' ' A' ' 24' ' ' ALA . 6.0 p-10 -158.16 170.62 21.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.83 0.347 . . . . 0.0 111.506 179.563 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -59.27 -40.95 87.69 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.517 179.844 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.45 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -64.69 -55.54 19.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.863 179.26 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.868 ' O ' HG23 ' A' ' 29' ' ' VAL . 10.9 p -53.57 -42.1 67.2 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.294 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.921 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -62.13 -49.15 77.04 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.488 178.097 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.473 ' HG2' ' HE3' ' A' ' 31' ' ' LYS . 39.1 tt0 -57.57 -44.86 85.64 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 179.342 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -64.45 -43.57 93.84 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.344 179.493 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 25' ' ' THR . 96.5 t -60.35 -40.53 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.041 179.167 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.921 HG23 ' O ' ' A' ' 26' ' ' ALA . 43.7 t -60.62 -43.35 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 178.514 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.568 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 28.2 mmtp -47.25 -51.63 18.31 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.271 0.558 . . . . 0.0 109.801 179.059 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.423 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 3.6 tp-100 -56.58 -36.8 69.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.033 179.629 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.914 ' CG ' HD23 ' B' ' 12' ' ' LEU . 43.8 t80 -52.68 -66.75 0.33 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.952 179.301 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.45 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 31.2 m-85 -66.87 -38.66 86.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.896 179.412 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.521 ' ND2' HG22 ' B' ' 39' ' ' VAL . 28.1 t-20 -52.78 -37.83 60.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.542 0.687 . . . . 0.0 109.654 178.297 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.443 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 42.3 m-20 -94.21 -26.43 16.66 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.757 -1.111 . . . . 0.0 112.718 -179.552 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.471 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.0 m-20 -78.64 -41.8 30.46 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.149 0.499 . . . . 0.0 110.144 179.477 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.81 -115.46 0.0 OUTLIER Glycine 0 CA--C 1.521 0.418 0 CA-C-N 114.556 -1.202 . . . . 0.0 115.758 179.712 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.523 HG22 ' ND2' ' B' ' 35' ' ' ASN . 86.3 t -84.71 -55.42 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -175.855 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -89.66 26.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -176.515 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.51 161.75 52.4 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 119.658 -1.258 . . . . 0.0 111.705 178.886 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -88.06 95.92 10.32 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 117.186 0.493 . . . . 0.0 110.38 179.717 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.639 ' HH2' HG12 ' B' ' 30' ' ' VAL . 6.9 m0 -99.04 118.85 36.74 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.368 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.5 p -110.94 138.57 47.18 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 177.627 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 8.4 t80 -110.23 144.33 39.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.013 0.435 . . . . 0.0 111.61 -178.672 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.645 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.3 t70 -123.31 81.9 1.94 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.533 179.504 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 52.1 m-20 -45.3 -35.02 3.21 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.53 -179.774 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.645 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.01 -33.15 17.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.236 -179.14 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.5 p -126.92 14.51 7.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.414 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HE2' ' CD2' ' B' ' 3' ' ' TYR . 4.3 mmmm 50.93 36.42 14.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.542 179.748 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.779 HG23 ' O ' ' B' ' 4' ' ' LYS . 95.6 m -129.37 143.18 50.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.207 0.527 . . . . 0.0 111.997 -178.81 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.524 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 2.5 m-85 -109.81 149.62 29.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.202 179.453 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 4.3 p -121.93 127.57 50.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.987 0.422 . . . . 0.0 111.145 179.251 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.6 t -105.69 106.57 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.314 179.342 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.699 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 32.7 m -99.69 115.47 29.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.469 -179.307 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.443 ' HG2' ' HB2' ' A' ' 36' ' ' ASP . 3.9 tm-20 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.601 -179.867 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.428 ' HG3' ' CE1' ' B' ' 3' ' ' TYR . 11.2 tpt . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.677 0.275 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -111.48 146.78 36.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.975 0.417 . . . . 0.0 111.255 -179.633 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.464 ' CD2' ' HE2' ' A' ' 50' ' ' LYS . 10.1 m-85 -132.3 151.67 51.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.29 179.629 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.779 ' O ' HG23 ' A' ' 51' ' ' THR . 87.8 tttt -109.7 109.96 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 111.366 -179.701 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.763 HG21 HG21 ' B' ' 30' ' ' VAL . 69.9 t -94.89 136.0 27.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.172 179.292 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.782 HG22 ' OD1' ' B' ' 8' ' ' ASN . 78.2 mt -114.87 135.34 55.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.034 -179.167 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 13.9 mt -113.18 104.96 12.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.627 -179.379 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.782 ' OD1' HG22 ' B' ' 6' ' ' ILE . 6.1 m120 -109.03 107.82 18.3 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.555 -179.67 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.51 -166.14 15.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.296 179.389 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -75.6 -55.58 5.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.939 0.4 . . . . 0.0 110.749 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.465 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 15.6 p -110.07 8.88 24.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.711 -179.035 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.982 HD13 ' HB ' ' A' ' 18' ' ' THR . 26.9 tp -140.2 138.34 35.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.115 0.483 . . . . 0.0 111.639 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.477 ' H ' HD12 ' B' ' 12' ' ' LEU . 51.9 mtmt -145.73 148.14 32.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.068 179.077 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -176.22 -173.31 41.77 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 119.81 -1.186 . . . . 0.0 113.775 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 51.4 mp0 -140.12 137.66 34.66 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.842 0.353 . . . . 0.0 110.317 179.755 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.74 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -138.8 169.03 18.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.45 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.535 HG22 ' HA ' ' B' ' 4' ' ' LYS . 49.5 p -143.45 120.12 11.14 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.705 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.968 ' HB ' HD13 ' A' ' 12' ' ' LEU . 15.1 t -108.28 142.82 38.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.477 178.528 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -104.94 115.96 31.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.485 0.183 . . . . 0.0 110.566 179.853 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -149.14 154.9 39.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.245 0.545 . . . . 0.0 112.041 -179.563 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 24.0 t -50.61 -24.37 2.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.162 -0.926 . . . . 0.0 112.153 -178.605 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' B' ' 24' ' ' ALA . 6.0 p-10 -158.08 170.74 21.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.912 0.387 . . . . 0.0 111.437 179.609 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.524 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -59.34 -41.04 88.24 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.472 179.81 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.455 ' HB3' ' OD2' ' B' ' 22' ' ' ASP . . . -64.71 -55.5 19.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.907 179.277 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.871 ' O ' HG23 ' B' ' 29' ' ' VAL . 10.9 p -53.55 -42.17 67.22 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.216 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.929 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -61.92 -49.3 76.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.503 178.065 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.475 ' HG2' ' HE3' ' B' ' 31' ' ' LYS . 39.1 tt0 -57.47 -44.99 85.3 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.61 179.43 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.4 ' HA ' ' HG2' ' B' ' 31' ' ' LYS . 33.6 mmtp -64.39 -43.57 94.01 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.36 179.492 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.871 HG23 ' O ' ' B' ' 25' ' ' THR . 96.1 t -60.41 -40.48 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.944 179.144 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.929 HG23 ' O ' ' B' ' 26' ' ' ALA . 43.9 t -60.69 -43.34 94.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 178.57 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.566 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 28.2 mmtp -47.25 -51.6 18.4 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.287 0.565 . . . . 0.0 109.849 179.008 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.424 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 3.6 tp-100 -56.59 -36.81 69.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.01 179.652 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.902 ' CG ' HD23 ' A' ' 12' ' ' LEU . 43.7 t80 -52.68 -66.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.004 179.287 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.452 ' HZ ' HD11 ' B' ' 7' ' ' LEU . 31.2 m-85 -66.82 -38.88 87.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.845 179.436 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.523 ' ND2' HG22 ' A' ' 39' ' ' VAL . 28.2 t-20 -52.7 -37.78 59.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.423 0.63 . . . . 0.0 109.649 178.306 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.444 ' HB2' ' HG2' ' B' ' 56' ' ' GLU . 42.6 m-20 -94.25 -26.42 16.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.868 -1.06 . . . . 0.0 112.627 -179.511 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.468 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 85.9 m-20 -78.68 -41.9 29.95 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.049 0.452 . . . . 0.0 110.048 179.532 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.85 -115.52 0.0 OUTLIER Glycine 0 CA--C 1.521 0.452 0 CA-C-N 114.605 -1.18 . . . . 0.0 115.688 179.78 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.521 HG22 ' ND2' ' A' ' 35' ' ' ASN . 86.0 t -84.63 -55.4 6.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 115.78 1.77 . . . . 0.0 115.78 -175.832 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -89.56 26.21 1.78 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -176.605 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.65 161.68 52.59 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 119.715 -1.231 . . . . 0.0 111.582 179.049 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -88.05 96.03 10.36 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 117.063 0.431 . . . . 0.0 110.384 179.75 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.638 ' HH2' HG12 ' A' ' 30' ' ' VAL . 6.9 m0 -99.04 118.95 36.97 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -178.398 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 71.5 p -110.93 138.49 47.27 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 177.654 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.503 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 8.4 t80 -110.15 144.33 38.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.873 0.368 . . . . 0.0 111.694 -178.704 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.643 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.3 t0 -123.29 81.81 1.93 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.584 179.502 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.43 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 52.7 m-20 -45.41 -34.95 3.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.461 -179.641 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.643 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.0 -33.18 17.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.263 -179.182 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -126.85 14.43 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.384 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.466 ' HE2' ' CD2' ' A' ' 3' ' ' TYR . 4.3 mmmm 51.03 36.3 14.94 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.852 0.358 . . . . 0.0 110.597 179.754 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 4' ' ' LYS . 95.5 m -129.29 143.11 50.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.103 0.478 . . . . 0.0 112.107 -178.77 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.524 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 2.4 m-85 -109.81 149.79 29.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.159 179.449 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 4.3 p -121.95 127.62 50.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.918 0.39 . . . . 0.0 111.158 179.272 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 81.7 t -105.71 106.44 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.262 179.442 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.69 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 32.5 m -99.63 115.46 29.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.46 -179.317 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.444 ' HG2' ' HB2' ' B' ' 36' ' ' ASP . 3.9 tm-20 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.668 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 . . . . . 0 N--CA 1.456 -0.135 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -121.78 146.13 47.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.973 0.416 . . . . 0.0 111.409 -179.648 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.762 ' O ' HG23 ' B' ' 51' ' ' THR . 2.6 tpmt? -96.43 103.8 15.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.129 179.566 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.671 ' HB ' HG23 ' A' ' 16' ' ' THR . 60.1 t -95.15 113.84 30.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.155 0.503 . . . . 0.0 111.08 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.413 HG13 ' CG2' ' B' ' 51' ' ' THR . 74.7 mt -95.1 119.22 42.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.001 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.481 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.9 mt -99.24 84.96 3.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.778 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.657 ' O ' ' HA ' ' B' ' 55' ' ' THR . 32.6 t-20 -93.95 108.97 20.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.424 -178.001 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.512 ' HA2' ' HG2' ' B' ' 56' ' ' GLU . . . -117.52 -169.39 14.87 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.303 -0.951 . . . . 0.0 112.605 179.606 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -82.69 -58.05 3.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.156 0.503 . . . . 0.0 110.328 179.779 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.419 ' HB ' HG11 ' B' ' 29' ' ' VAL . 3.2 p -100.46 -0.49 37.9 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.662 179.653 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.962 HD13 ' HB ' ' B' ' 18' ' ' THR . 21.1 tp -136.39 136.26 39.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.032 -179.545 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.484 ' H ' HD12 ' A' ' 12' ' ' LEU . 59.2 mttp -145.1 145.23 31.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.27 179.792 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.57 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 177.78 -165.26 34.77 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 119.962 -1.113 . . . . 0.0 113.552 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -149.59 142.17 24.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.986 0.422 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.73 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -139.14 168.86 18.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.726 179.827 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.701 HG22 ' HE3' ' A' ' 4' ' ' LYS . 69.6 p -141.36 123.86 15.86 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.763 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.972 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.3 t -111.46 144.61 40.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.667 178.753 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -106.21 118.26 36.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.581 0.229 . . . . 0.0 110.385 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.1 151.9 35.23 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.303 0.573 . . . . 0.0 112.182 -179.379 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.78 -28.24 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.779 -179.075 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.451 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 5.1 p-10 -153.79 171.65 18.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 0.0 111.503 179.55 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.567 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -58.77 -41.83 87.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 -179.663 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.47 -55.69 22.09 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.354 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.898 ' O ' HG23 ' A' ' 29' ' ' VAL . 25.2 p -51.73 -44.54 63.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.185 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.884 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.61 -51.41 69.52 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 178.127 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -54.26 -45.43 72.4 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.152 178.933 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 46.5 mmtm -64.88 -46.24 82.62 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.716 179.672 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 25' ' ' THR . 87.4 t -57.13 -39.86 69.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.998 179.298 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 26' ' ' ALA . 27.1 t -61.61 -43.82 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.638 178.848 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.543 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 1.0 OUTLIER -49.19 -49.03 44.59 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.153 0.501 . . . . 0.0 110.012 179.497 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.51 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -57.22 -36.43 70.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.721 179.005 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.873 ' CG ' HD23 ' B' ' 12' ' ' LEU . 41.7 t80 -55.0 -64.99 0.66 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.06 179.428 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.475 ' CE1' ' CE1' ' B' ' 34' ' ' PHE . 24.8 m-85 -66.65 -38.88 87.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.578 179.416 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.406 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 31.6 t-20 -51.25 -38.17 51.15 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.508 0.67 . . . . 0.0 109.838 178.529 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.24 -22.39 18.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.122 -179.879 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.459 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.8 m-20 -83.65 -46.82 11.91 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.568 179.667 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -11.41 -112.04 0.0 OUTLIER Glycine 0 CA--C 1.521 0.429 0 N-CA-C 115.605 1.002 . . . . 0.0 115.605 -179.697 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 39' ' ' VAL . 25.0 t -108.44 3.86 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -176.566 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.66 10.88 7.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.536 0.607 . . . . 0.0 111.931 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.48 172.32 53.53 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.568 -0.825 . . . . 0.0 113.345 -179.349 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -103.63 110.0 21.9 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.847 0.356 . . . . 0.0 110.374 179.71 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.545 ' HH2' HG12 ' B' ' 30' ' ' VAL . 5.9 m0 -105.53 123.75 48.42 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.425 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.447 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 56.8 p -108.73 138.75 44.54 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.437 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 21.2 t80 -110.48 144.32 39.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.071 0.462 . . . . 0.0 112.216 -178.561 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -123.27 81.82 1.93 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.364 179.39 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.95 -36.56 12.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.837 -179.301 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.53 -31.97 11.38 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -178.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.5 p -128.2 14.87 6.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.587 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm 48.16 34.85 4.69 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.958 0.408 . . . . 0.0 110.457 -179.469 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.766 HG23 ' O ' ' B' ' 4' ' ' LYS . 92.7 m -117.78 140.25 49.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.579 -179.095 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.569 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 2.5 m-85 -108.42 140.97 40.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.173 179.412 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.447 ' HG1' ' HG1' ' A' ' 44' ' ' THR . 3.0 p -117.83 122.84 44.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.103 0.478 . . . . 0.0 111.325 179.324 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.0 t -102.95 107.16 21.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.879 179.308 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.657 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 25.2 m -102.72 117.66 35.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.422 -179.15 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.513 ' HG2' ' HA2' ' B' ' 9' ' ' GLY . 21.9 pt-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 91.1 mmm . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.949 0.404 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -106.5 143.04 35.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.018 179.145 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -121.78 146.25 47.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.924 0.392 . . . . 0.0 111.455 -179.712 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.766 ' O ' HG23 ' A' ' 51' ' ' THR . 2.6 tpmt? -96.36 103.72 15.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.196 179.619 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.675 ' HB ' HG23 ' B' ' 16' ' ' THR . 59.9 t -95.22 113.94 30.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.154 0.502 . . . . 0.0 111.062 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.412 HG13 ' CG2' ' A' ' 51' ' ' THR . 74.4 mt -95.19 119.15 42.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.944 179.92 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.0 mt -99.28 84.88 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.564 179.79 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.657 ' O ' ' HA ' ' A' ' 55' ' ' THR . 32.7 t-20 -94.0 109.03 20.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.369 -177.92 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.513 ' HA2' ' HG2' ' A' ' 56' ' ' GLU . . . -117.57 -169.32 14.83 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.266 -0.969 . . . . 0.0 112.569 179.623 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -82.85 -58.0 3.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.022 0.439 . . . . 0.0 110.256 179.921 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.417 ' HB ' HG11 ' A' ' 29' ' ' VAL . 3.2 p -100.42 -0.57 37.85 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.631 179.583 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.972 HD13 ' HB ' ' A' ' 18' ' ' THR . 21.0 tp -136.33 136.28 39.59 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.657 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.483 ' H ' HD12 ' B' ' 12' ' ' LEU . 59.3 mttp -145.1 145.31 31.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.279 179.81 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.569 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 177.72 -165.25 34.78 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.841 -1.171 . . . . 0.0 113.477 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -149.65 142.2 24.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.995 0.426 . . . . 0.0 110.941 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.727 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -139.05 168.89 18.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.756 179.83 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.694 HG22 ' HE3' ' B' ' 4' ' ' LYS . 69.4 p -141.41 123.95 15.89 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -178.845 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.962 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.3 t -111.58 144.63 40.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.641 178.83 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -106.11 118.25 36.14 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.628 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -149.21 151.9 35.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.383 0.611 . . . . 0.0 112.141 -179.37 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -50.78 -28.33 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.746 -178.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.449 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 5.2 p-10 -153.71 171.6 18.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.881 0.372 . . . . 0.0 111.496 179.582 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.569 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -58.74 -41.89 87.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.157 -179.727 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.44 -55.61 22.86 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.296 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.896 ' O ' HG23 ' B' ' 29' ' ' VAL . 25.5 p -51.75 -44.56 63.36 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.156 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.888 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.61 -51.37 69.71 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 178.096 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -54.33 -45.35 72.63 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.119 179.018 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' HG2' ' B' ' 31' ' ' LYS . 46.5 mmtm -64.86 -46.28 82.51 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.728 179.69 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.896 HG23 ' O ' ' B' ' 25' ' ' THR . 86.0 t -57.16 -39.8 69.3 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.044 179.286 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.888 HG23 ' O ' ' B' ' 26' ' ' ALA . 27.5 t -61.6 -43.93 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.551 178.83 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.543 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -49.17 -48.93 44.62 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.096 0.474 . . . . 0.0 110.011 179.544 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.512 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -57.31 -36.46 71.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.709 178.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.874 ' CG ' HD23 ' A' ' 12' ' ' LEU . 41.3 t80 -54.97 -64.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.094 179.459 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.475 ' CE1' ' CE1' ' A' ' 34' ' ' PHE . 24.8 m-85 -66.77 -38.8 87.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.521 179.398 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.404 ' HB3' ' HA ' ' B' ' 32' ' ' GLN . 31.5 t-20 -51.42 -38.13 52.0 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.452 0.644 . . . . 0.0 109.796 178.608 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.06 -22.56 18.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.901 -1.045 . . . . 0.0 112.243 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.459 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.8 m-20 -83.65 -46.72 12.01 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.475 179.777 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -11.41 -112.08 0.0 OUTLIER Glycine 0 CA--C 1.522 0.472 0 N-CA-C 115.526 0.97 . . . . 0.0 115.526 -179.733 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.654 HG12 ' O ' ' B' ' 39' ' ' VAL . 25.3 t -108.55 3.96 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -176.531 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.68 10.95 7.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.763 -0.586 . . . . 0.0 111.889 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.5 172.38 53.55 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.621 -0.799 . . . . 0.0 113.281 -179.354 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -103.71 109.86 21.73 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.796 0.331 . . . . 0.0 110.384 179.7 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.549 ' HH2' HG12 ' A' ' 30' ' ' VAL . 5.9 m0 -105.5 123.82 48.53 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.373 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.467 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 56.5 p -108.79 138.8 44.55 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.435 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 21.3 t80 -110.5 144.28 39.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.161 0.505 . . . . 0.0 112.146 -178.536 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -123.29 81.85 1.93 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.331 179.324 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.87 -36.69 12.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.818 -179.36 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.44 -31.92 10.8 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 67.4 p -128.32 14.87 6.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.523 179.915 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm 48.21 34.8 4.72 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.008 0.433 . . . . 0.0 110.451 -179.501 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 4' ' ' LYS . 92.5 m -117.69 140.28 49.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.626 -179.073 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.567 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 2.5 m-85 -108.5 140.94 41.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.14 179.434 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.467 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 3.0 p -117.83 122.89 44.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.172 0.51 . . . . 0.0 111.209 179.373 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.0 t -102.92 107.15 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.903 179.224 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.657 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 25.6 m -102.84 117.8 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.267 -179.081 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.512 ' HG2' ' HA2' ' A' ' 9' ' ' GLY . 21.9 pt-20 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.793 -179.879 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.424 ' NE2' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.791 0.329 . . . . 0.0 110.671 . . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.462 ' CE2' ' HE3' ' B' ' 50' ' ' LYS . 2.2 m-85 -129.58 148.03 51.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.804 -179.824 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.779 ' O ' HG23 ' B' ' 51' ' ' THR . 7.2 ttpm? -103.77 108.89 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 179.795 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.734 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.5 t -94.77 130.59 43.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.094 0.474 . . . . 0.0 111.2 -179.711 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.443 ' CD1' HG21 ' B' ' 51' ' ' THR . 74.4 mt -105.53 121.53 57.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.643 179.714 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.436 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.3 mt -99.85 91.9 5.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.874 -179.906 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.643 ' O ' ' HA ' ' B' ' 55' ' ' THR . 32.5 t-20 -100.08 108.31 20.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.477 . . . . 0.0 112.263 -178.086 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.482 ' HA2' ' HG3' ' B' ' 56' ' ' GLU . . . -115.72 -169.56 15.71 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.514 179.63 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.462 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.4 mtmp? -75.05 -54.87 6.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.659 0.266 . . . . 0.0 111.179 -179.82 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.576 ' OG1' HG13 ' B' ' 29' ' ' VAL . 7.0 p -111.31 10.57 21.64 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.246 -179.235 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.989 HD13 ' HB ' ' B' ' 18' ' ' THR . 28.9 tp -138.97 138.93 37.73 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.122 0.487 . . . . 0.0 111.419 -179.39 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.473 ' H ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -144.61 144.6 31.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.2 179.705 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -176.55 -172.83 41.61 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.14 -1.028 . . . . 0.0 113.176 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -143.21 137.14 28.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.908 0.385 . . . . 0.0 110.462 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.778 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -134.84 167.34 21.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.101 -179.663 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.484 ' O ' HD12 ' B' ' 12' ' ' LEU . 51.6 p -143.28 119.42 10.76 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.861 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 1.002 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.2 t -108.03 145.02 34.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.368 178.619 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -107.33 114.14 27.98 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.466 179.594 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.563 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -144.95 152.54 40.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.267 0.556 . . . . 0.0 112.02 -179.332 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.5 t -50.98 -25.79 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.971 -178.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.47 ' OD2' ' HB3' ' A' ' 24' ' ' ALA . 9.9 p-10 -158.31 172.96 17.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.973 0.416 . . . . 0.0 111.487 179.719 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.86 86.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.115 -179.777 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.47 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -63.64 -53.86 44.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.216 179.517 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.869 ' O ' HG23 ' A' ' 29' ' ' VAL . 10.8 p -55.35 -43.22 74.81 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.383 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -60.93 -51.98 66.98 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.033 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.63 -47.5 58.36 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.454 179.103 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -62.8 -45.84 90.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.953 179.237 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 25' ' ' THR . 94.4 t -53.22 -43.37 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.076 179.089 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.608 HG12 ' HH2' ' B' ' 43' ' ' TRP . 48.4 t -63.78 -46.43 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.706 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 53.0 mtpt -50.85 -47.36 60.35 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 120.762 0.315 . . . . 0.0 110.41 179.078 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -60.93 -38.1 84.62 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.887 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.935 ' CG ' HD23 ' B' ' 12' ' ' LEU . 56.2 t80 -53.59 -62.67 1.5 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.183 179.268 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.402 ' HB3' ' HA2' ' B' ' 38' ' ' GLY . 27.7 m-85 -68.44 -38.8 81.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.599 179.337 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.507 ' ND2' HG21 ' B' ' 39' ' ' VAL . 32.5 t-20 -50.54 -38.75 46.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.457 0.646 . . . . 0.0 109.727 178.604 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -94.44 -23.11 17.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.808 -1.087 . . . . 0.0 112.317 -179.822 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.513 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.9 m-20 -82.09 -46.71 13.51 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.332 179.544 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -8.56 -114.24 0.0 OUTLIER Glycine 0 C--N 1.331 0.291 0 N-CA-C 115.567 0.987 . . . . 0.0 115.567 179.905 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.65 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.7 t -111.17 5.07 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -176.543 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -125.25 10.5 8.05 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.741 -0.599 . . . . 0.0 111.928 -179.83 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.45 173.42 54.83 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.876 -179.569 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 47.8 mp0 -95.9 101.67 13.38 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.711 0.291 . . . . 0.0 110.298 179.562 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.614 ' HH2' HG12 ' B' ' 30' ' ' VAL . 9.6 m95 -96.12 115.88 28.12 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -178.367 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.2 p -109.58 138.21 46.27 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.077 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 7.0 t80 -112.98 142.85 45.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.724 0.297 . . . . 0.0 111.38 -178.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.507 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 65.2 t0 -123.3 84.11 2.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.709 179.684 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.414 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 12.5 m-20 -48.91 -35.71 15.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 0.0 111.35 -179.823 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.507 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.36 -35.46 28.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.084 -179.428 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.0 p -122.31 13.45 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.466 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HE3' ' CE2' ' B' ' 3' ' ' TYR . 9.3 mmmm 49.9 34.22 7.58 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.816 0.341 . . . . 0.0 110.541 179.916 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.781 HG23 ' O ' ' B' ' 4' ' ' LYS . 93.4 m -125.86 144.25 50.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.118 0.485 . . . . 0.0 112.025 -178.574 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.9 m-85 -109.51 139.45 44.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.211 179.31 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -116.46 123.08 46.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.177 0.513 . . . . 0.0 111.289 179.272 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.5 t -107.15 112.58 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.043 179.33 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.647 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 19.1 m -101.88 112.23 24.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.904 -179.456 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.473 ' HG3' ' HA2' ' B' ' 9' ' ' GLY . 1.7 pp20? . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.816 -179.577 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.509 ' HE3' ' CZ ' ' B' ' 3' ' ' TYR . 36.5 ttp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.707 0.289 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.422 ' C ' ' NE2' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -107.94 144.62 34.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.679 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.509 ' CZ ' ' HE3' ' B' ' 1' ' ' MET . 2.2 m-85 -129.66 148.01 51.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.849 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.781 ' O ' HG23 ' A' ' 51' ' ' THR . 7.1 ttpm? -103.66 108.77 20.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.645 179.841 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.735 ' HB ' HG23 ' B' ' 16' ' ' THR . 60.9 t -94.83 130.63 43.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.092 0.472 . . . . 0.0 111.266 -179.738 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.449 ' CD1' HG21 ' A' ' 51' ' ' THR . 74.8 mt -105.48 121.47 57.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.654 179.757 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.3 mt -99.85 91.96 5.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.84 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.647 ' O ' ' HA ' ' A' ' 55' ' ' THR . 32.5 t-20 -100.03 108.25 20.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.297 -178.142 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.473 ' HA2' ' HG3' ' A' ' 56' ' ' GLU . . . -115.8 -169.59 15.68 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.302 -0.951 . . . . 0.0 112.434 179.692 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.465 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.4 mtmp? -74.94 -54.97 6.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.79 0.329 . . . . 0.0 111.205 -179.762 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.572 ' OG1' HG13 ' A' ' 29' ' ' VAL . 7.1 p -111.17 10.47 21.86 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.243 -179.226 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 1.002 HD13 ' HB ' ' A' ' 18' ' ' THR . 29.2 tp -139.0 138.81 37.58 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.104 0.478 . . . . 0.0 111.436 -179.26 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.47 ' H ' HD12 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -144.56 144.65 31.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.213 179.694 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -176.56 -172.85 41.64 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.164 -1.017 . . . . 0.0 113.156 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -143.24 137.08 28.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.976 0.417 . . . . 0.0 110.496 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.769 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -134.81 167.48 20.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.067 -179.705 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.487 ' O ' HD12 ' A' ' 12' ' ' LEU . 52.1 p -143.37 119.5 10.76 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -178.892 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.989 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.4 t -107.99 145.01 34.49 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.406 178.55 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -107.47 114.28 28.18 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 179.662 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -145.01 152.51 40.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.294 0.569 . . . . 0.0 112.011 -179.378 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.1 t -50.92 -25.89 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.936 -179.006 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.477 ' OD2' ' HB3' ' B' ' 24' ' ' ALA . 9.8 p-10 -158.32 172.98 17.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.923 0.392 . . . . 0.0 111.415 179.761 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.49 -41.79 86.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.079 -179.721 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.477 ' HB3' ' OD2' ' B' ' 22' ' ' ASP . . . -63.83 -53.8 45.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.074 179.642 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.869 ' O ' HG23 ' B' ' 29' ' ' VAL . 10.9 p -55.36 -43.26 74.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.388 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.561 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -60.9 -52.03 66.75 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.029 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -50.46 -47.67 56.83 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.407 179.054 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -62.82 -45.78 91.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.047 179.274 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.869 HG23 ' O ' ' B' ' 25' ' ' THR . 94.1 t -53.2 -43.42 49.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.075 179.01 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.614 HG12 ' HH2' ' A' ' 43' ' ' TRP . 48.1 t -63.77 -46.34 94.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.321 178.676 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.449 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 53.0 mtpt -50.82 -47.48 60.03 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.378 178.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -60.82 -38.19 84.58 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.91 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.937 ' CG ' HD23 ' A' ' 12' ' ' LEU . 55.7 t80 -53.43 -62.67 1.5 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.279 179.217 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.41 ' HB3' ' HA2' ' A' ' 38' ' ' GLY . 27.7 m-85 -68.48 -38.77 81.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.656 179.272 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.509 ' ND2' HG21 ' A' ' 39' ' ' VAL . 32.6 t-20 -50.53 -38.77 46.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.51 0.672 . . . . 0.0 109.746 178.536 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -94.36 -23.12 17.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.856 -1.066 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.515 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.8 m-20 -82.0 -46.8 13.47 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.317 179.513 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -8.52 -114.25 0.0 OUTLIER Glycine 0 CA--C 1.52 0.395 0 N-CA-C 115.541 0.976 . . . . 0.0 115.541 179.935 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.643 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.7 t -111.24 5.05 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -176.384 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -125.19 10.47 8.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.734 -0.604 . . . . 0.0 111.921 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.42 173.45 54.85 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.0 -179.65 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 47.7 mp0 -95.93 101.72 13.43 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.759 0.314 . . . . 0.0 110.229 179.563 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.608 ' HH2' HG12 ' A' ' 30' ' ' VAL . 9.7 m95 -96.05 115.86 28.07 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -178.455 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.409 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 73.6 p -109.58 138.26 46.21 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.08 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 6.9 t80 -113.08 142.92 45.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 111.331 -178.933 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.514 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 65.2 t0 -123.37 84.17 2.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.599 179.762 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.415 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 12.6 m-20 -49.05 -35.64 16.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.297 -179.846 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.514 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.33 -35.6 28.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.042 -179.451 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 76.3 p -122.24 13.43 10.37 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.43 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.462 ' HE3' ' CE2' ' A' ' 3' ' ' TYR . 9.3 mmmm 49.91 34.24 7.64 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.689 0.281 . . . . 0.0 110.493 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.779 HG23 ' O ' ' A' ' 4' ' ' LYS . 93.3 m -125.81 144.29 50.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.198 0.523 . . . . 0.0 112.096 -178.666 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 2.9 m-85 -109.54 139.47 44.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.176 179.306 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.409 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 3.0 p -116.45 123.17 46.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.12 0.486 . . . . 0.0 111.189 179.283 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.08 112.49 40.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.141 179.217 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.643 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 19.0 m -101.79 112.24 24.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.99 -179.502 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.482 ' HG3' ' HA2' ' A' ' 9' ' ' GLY . 1.7 pp20? . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.772 -179.549 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 . . . . . 0 N--CA 1.456 -0.151 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.54 ' CD2' ' HB3' ' B' ' 50' ' ' LYS . 49.0 m-85 -127.15 144.83 50.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.843 0.354 . . . . 0.0 111.255 -179.695 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.506 ' HA ' HG22 ' A' ' 17' ' ' THR . 5.1 tppp? -99.08 108.61 21.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.44 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.781 ' HB ' HG23 ' A' ' 16' ' ' THR . 47.5 t -94.61 126.95 46.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.051 0.453 . . . . 0.0 110.738 179.781 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.1 mt -104.44 119.41 53.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.93 -179.673 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.493 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.0 mt -98.69 88.04 3.95 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.483 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.705 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.4 t-20 -94.09 102.76 14.83 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -177.588 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.22 151.89 17.43 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.76 178.743 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HD3' ' HG3' ' B' ' 56' ' ' GLU . 4.3 mptp? -51.03 -52.53 42.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.789 0.328 . . . . 0.0 111.629 -179.532 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 p -99.18 -6.4 28.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.619 -179.103 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.95 HD13 ' HB ' ' B' ' 18' ' ' THR . 14.4 tp -134.04 135.78 43.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.921 -179.707 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.509 ' H ' HD12 ' A' ' 12' ' ' LEU . 60.8 mttp -144.92 143.2 30.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.604 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.537 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.71 -168.71 38.35 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.258 -0.972 . . . . 0.0 113.217 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -147.07 142.11 27.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.768 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.781 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -140.1 168.95 18.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.064 -179.72 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.506 HG22 ' HA ' ' A' ' 4' ' ' LYS . 73.2 p -143.68 121.09 11.66 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -179.041 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.95 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.7 t -106.07 144.7 32.41 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.451 178.303 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -103.92 112.33 25.26 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.428 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.748 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -143.35 149.4 37.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.198 0.523 . . . . 0.0 111.839 -179.307 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.7 t -50.94 -25.63 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.93 -179.068 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.483 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -156.09 178.14 10.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 111.402 179.683 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.07 99.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.588 -179.574 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.67 -54.08 44.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.452 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.867 ' O ' HG23 ' A' ' 29' ' ' VAL . 48.2 p -50.49 -45.39 56.35 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.233 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.669 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.65 -52.5 65.26 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.547 178.266 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 41.2 tt0 -54.85 -46.7 74.71 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 179.467 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.459 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 4.0 mmmp? -60.89 -45.71 93.49 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.07 179.316 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 25' ' ' THR . 90.3 t -57.97 -39.38 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.923 179.01 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.744 HG12 ' CH2' ' B' ' 43' ' ' TRP . 60.2 t -66.6 -49.31 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 177.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.592 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 33.4 mmtm -46.48 -52.27 13.56 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-O 121.221 0.534 . . . . 0.0 109.621 178.478 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.412 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 3.4 tp-100 -60.87 -37.89 83.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.032 179.531 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.869 ' CG ' HD23 ' B' ' 12' ' ' LEU . 39.8 t80 -53.09 -64.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.238 179.357 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -68.48 -39.53 81.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.866 179.482 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.503 HD22 HG22 ' B' ' 39' ' ' VAL . 27.5 t-20 -52.06 -37.88 55.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.517 0.675 . . . . 0.0 109.538 178.399 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -94.12 -26.4 16.73 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 114.785 -1.098 . . . . 0.0 112.573 -179.484 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.443 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.1 m-20 -77.48 -40.51 42.77 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.005 0.431 . . . . 0.0 109.953 179.393 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -8.07 -117.68 0.0 OUTLIER Glycine 0 CA--C 1.521 0.43 0 CA-C-N 114.578 -1.192 . . . . 0.0 115.936 -179.838 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.496 HG22 HD22 ' B' ' 35' ' ' ASN . 83.0 t -81.86 -55.62 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -175.937 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.36 26.06 1.77 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -177.032 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.19 144.67 48.1 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 119.985 -1.102 . . . . 0.0 112.46 179.405 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -79.34 94.72 5.54 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.499 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.747 ' CH2' HG12 ' B' ' 30' ' ' VAL . 6.4 m0 -107.56 132.65 53.03 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.639 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.9 p -112.47 141.82 45.76 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.239 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.5 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 20.7 t80 -111.87 145.5 39.39 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -178.231 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.455 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.2 t0 -123.51 81.86 1.94 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.979 178.908 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.01 -36.9 8.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.962 -179.187 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.455 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.14 -33.94 20.59 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.189 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.6 p -128.6 13.4 6.46 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.705 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.538 ' HB3' ' CD2' ' B' ' 3' ' ' TYR . 14.0 mptt 52.48 28.65 6.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.812 0.339 . . . . 0.0 110.615 -179.14 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 88.5 m -106.56 134.66 49.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.12 0.486 . . . . 0.0 111.904 -178.826 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 1.9 m-85 -111.41 142.07 44.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.469 178.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.2 p -119.54 121.39 39.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.044 0.449 . . . . 0.0 111.548 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.6 t -101.65 107.3 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.36 179.477 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.704 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 36.3 m -103.65 119.49 39.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.158 -179.481 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.486 ' HG2' ' HA2' ' B' ' 9' ' ' GLY . 16.8 pt-20 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.943 -179.601 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.999 0.428 . . . . 0.0 111.335 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -103.96 142.04 35.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.032 179.186 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.538 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 49.3 m-85 -127.2 144.81 50.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.927 0.394 . . . . 0.0 111.143 -179.663 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.51 ' HA ' HG22 ' B' ' 17' ' ' THR . 5.1 tppp? -99.07 108.56 21.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.529 179.832 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.781 ' HB ' HG23 ' B' ' 16' ' ' THR . 47.6 t -94.54 126.96 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.079 0.466 . . . . 0.0 110.691 179.829 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 68.4 mt -104.48 119.46 53.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.905 -179.716 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.0 mt -98.72 87.98 3.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.473 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.704 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.6 t-20 -94.01 102.81 14.9 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.612 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.29 151.86 17.42 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.122 -0.561 . . . . 0.0 111.732 178.755 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.411 ' HD3' ' HG3' ' A' ' 56' ' ' GLU . 4.3 mptp? -50.9 -52.65 39.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 111.611 -179.484 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 19.5 p -99.16 -6.4 28.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.576 -179.021 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.95 HD13 ' HB ' ' A' ' 18' ' ' THR . 14.5 tp -134.02 135.78 43.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.865 -179.68 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.507 ' H ' HD12 ' B' ' 12' ' ' LEU . 60.8 mttp -144.94 143.23 30.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.654 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.534 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.69 -168.66 38.27 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.279 -0.962 . . . . 0.0 113.216 -179.892 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -147.12 142.23 27.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.934 0.397 . . . . 0.0 110.724 179.853 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.781 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.1 OUTLIER -140.16 168.85 18.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.098 -179.678 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.51 HG22 ' HA ' ' B' ' 4' ' ' LYS . 73.3 p -143.59 120.99 11.65 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -179.058 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.95 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.7 t -106.04 144.63 32.48 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.491 178.227 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -103.82 112.35 25.27 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.392 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.745 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -143.3 149.41 37.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.154 0.502 . . . . 0.0 111.92 -179.219 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 t -51.0 -25.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.814 -179.007 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.485 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -156.04 178.21 10.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.857 0.36 . . . . 0.0 111.335 179.681 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.47 -43.11 99.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.583 -179.584 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.76 -53.96 46.3 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.582 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.868 ' O ' HG23 ' B' ' 29' ' ' VAL . 47.7 p -50.58 -45.22 57.1 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.241 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.672 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.8 -52.36 65.77 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.641 178.168 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 41.3 tt0 -54.83 -46.8 74.64 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.543 179.356 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.45 ' NZ ' ' HB3' ' B' ' 28' ' ' LYS . 4.0 mmmp? -60.82 -45.87 92.76 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.069 179.36 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.868 HG23 ' O ' ' B' ' 25' ' ' THR . 91.6 t -57.9 -39.38 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.912 179.021 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.747 HG12 ' CH2' ' A' ' 43' ' ' TRP . 59.8 t -66.63 -49.32 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.585 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 33.5 mmtm -46.29 -52.45 12.62 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.338 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.41 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 3.4 tp-100 -60.75 -37.97 83.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.035 179.566 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.866 ' CG ' HD23 ' A' ' 12' ' ' LEU . 39.8 t80 -53.09 -64.1 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.207 179.361 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -68.45 -39.57 81.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.758 179.578 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.496 HD22 HG22 ' A' ' 39' ' ' VAL . 27.8 t-20 -51.92 -37.96 54.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.517 0.675 . . . . 0.0 109.516 178.441 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -94.14 -26.32 16.75 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 114.775 -1.102 . . . . 0.0 112.634 -179.433 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.443 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.9 m-20 -77.5 -40.49 42.72 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.014 179.287 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -8.14 -117.67 0.0 OUTLIER Glycine 0 C--N 1.332 0.352 0 CA-C-N 114.607 -1.179 . . . . 0.0 115.978 -179.901 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.503 HG22 HD22 ' A' ' 35' ' ' ASN . 83.3 t -81.83 -55.68 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -175.924 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.23 25.95 1.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -177.099 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.19 144.66 48.09 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.013 -1.089 . . . . 0.0 112.333 179.538 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -79.33 94.7 5.53 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.435 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.744 ' CH2' HG12 ' A' ' 30' ' ' VAL . 6.4 m0 -107.57 132.57 53.13 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -178.608 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.424 ' OG1' ' OG1' ' B' ' 53' ' ' THR . 69.0 p -112.28 141.82 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 177.234 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 20.6 t80 -111.87 145.49 39.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.234 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.456 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.2 t0 -123.55 81.93 1.95 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.006 178.805 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.02 -36.99 8.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.886 -179.206 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.456 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.11 -33.83 20.04 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.158 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.6 p -128.7 13.33 6.4 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.711 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.54 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 14.0 mptt 52.52 28.58 6.14 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.902 0.382 . . . . 0.0 110.651 -179.177 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 88.6 m -106.62 134.6 49.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.159 0.504 . . . . 0.0 111.964 -178.838 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 1.9 m-85 -111.3 142.03 44.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.412 179.097 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.424 ' OG1' ' OG1' ' B' ' 44' ' ' THR . 3.3 p -119.49 121.31 39.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.185 0.517 . . . . 0.0 111.646 179.772 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 69.3 t -101.53 107.24 21.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.382 179.468 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.705 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 34.8 m -103.48 119.37 38.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.258 -179.597 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.491 ' HG2' ' HA2' ' A' ' 9' ' ' GLY . 16.8 pt-20 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.955 -179.634 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 . . . . . 0 N--CA 1.455 -0.199 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.402 ' O ' ' HA ' ' A' ' 17' ' ' THR . 87.2 m-85 -116.83 146.37 42.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.0 0.429 . . . . 0.0 111.395 -179.515 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.612 ' O ' HG23 ' B' ' 51' ' ' THR . 55.0 tptt -108.71 100.53 9.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.0 179.843 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.604 ' HB ' HG23 ' A' ' 16' ' ' THR . 96.0 t -94.02 132.68 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.94 0.4 . . . . 0.0 110.952 -179.478 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.737 HG22 ' OD1' ' A' ' 8' ' ' ASN . 59.9 mt -112.05 133.11 58.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.501 -179.838 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.485 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 16.2 mt -111.81 93.64 4.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.656 -179.319 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.737 ' OD1' HG22 ' A' ' 6' ' ' ILE . 6.2 m120 -98.2 109.69 22.4 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.597 -179.462 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.401 ' HA3' ' HE1' ' B' ' 33' ' ' PHE . . . -116.37 -166.05 14.34 Favored Glycine 0 C--N 1.329 0.19 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.622 179.617 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.474 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.3 mtmp? -80.98 -55.9 4.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.885 0.374 . . . . 0.0 110.4 179.719 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.419 ' HB ' HG11 ' B' ' 29' ' ' VAL . 3.6 p -105.34 3.53 29.92 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.984 -179.501 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.009 HD13 ' HB ' ' B' ' 18' ' ' THR . 23.5 tp -139.6 138.73 36.43 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.179 0.514 . . . . 0.0 111.809 -179.21 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.517 ' H ' HD12 ' A' ' 12' ' ' LEU . 2.1 mptp? -143.89 145.4 32.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.639 179.113 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.25 -172.29 42.5 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 119.722 -1.227 . . . . 0.0 113.558 -179.826 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.513 ' HB3' ' HE3' ' A' ' 4' ' ' LYS . 52.9 mp0 -141.03 151.1 43.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.356 -0.422 . . . . 0.0 110.185 179.768 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.784 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -151.12 168.4 24.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.968 -179.583 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.54 HG22 ' HA ' ' A' ' 4' ' ' LYS . 71.8 p -143.43 120.64 11.51 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -178.731 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 1.011 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.9 t -112.1 147.19 36.59 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.525 178.511 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -110.07 120.9 43.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.506 0.193 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.507 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -149.11 153.61 38.01 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.202 0.525 . . . . 0.0 112.048 -179.808 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 t -51.15 -25.8 4.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.771 -179.07 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.47 ' OD1' HG23 ' A' ' 25' ' ' THR . 6.8 p-10 -157.42 174.35 15.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.964 0.411 . . . . 0.0 111.492 179.71 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.463 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -58.91 -42.8 90.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.198 -179.697 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.64 -56.6 18.11 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.325 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.849 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.6 p -50.58 -44.37 56.82 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 178.344 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.758 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.15 -51.97 67.31 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -51.65 -50.19 60.83 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.075 179.301 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -45.8 85.95 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.427 179.471 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 25' ' ' THR . 91.9 t -56.33 -40.54 67.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.552 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.769 ' CG2' HG21 ' A' ' 18' ' ' THR . 97.2 t -66.59 -49.7 72.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 177.737 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.455 ' HA ' ' CH2' ' B' ' 43' ' ' TRP . 95.4 mttt -46.77 -48.26 20.63 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.422 0.63 . . . . 0.0 110.274 178.358 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -59.42 -34.84 72.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.55 -179.896 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.856 ' CG ' HD23 ' B' ' 12' ' ' LEU . 35.7 t80 -54.9 -62.21 1.81 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.076 179.055 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -68.75 -40.76 79.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.766 179.579 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.414 ' ND2' HG22 ' B' ' 39' ' ' VAL . 31.0 t-20 -49.35 -38.89 29.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.601 0.715 . . . . 0.0 109.703 178.249 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -94.62 -24.84 17.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.742 -1.117 . . . . 0.0 112.795 -179.566 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.1 m-20 -76.37 -41.93 46.36 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.211 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.15 -120.11 0.0 OUTLIER Glycine 0 CA--C 1.521 0.426 0 CA-C-N 114.524 -1.216 . . . . 0.0 115.888 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.416 HG22 ' ND2' ' B' ' 35' ' ' ASN . 89.6 t -84.83 -55.33 7.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 -175.708 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -86.96 26.92 1.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -176.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.96 159.45 53.89 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 119.899 -1.143 . . . . 0.0 112.095 179.336 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -88.04 96.56 10.56 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.88 0.34 . . . . 0.0 110.217 179.32 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.562 ' CH2' HG12 ' B' ' 30' ' ' VAL . 7.2 m0 -100.29 121.33 41.31 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.157 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.422 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 62.2 p -105.67 135.0 47.87 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 177.665 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 14.1 t80 -106.71 142.04 37.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.96 0.41 . . . . 0.0 112.055 -178.548 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.459 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 65.2 t0 -123.57 81.23 1.88 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.372 179.074 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.48 -36.06 6.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.619 -179.52 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.459 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.01 -34.09 20.13 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -179.229 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.3 p -128.36 12.72 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.505 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm 54.09 30.68 12.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 110.334 -179.557 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.615 HG23 ' O ' ' B' ' 4' ' ' LYS . 95.3 m -105.11 149.39 25.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.731 -178.918 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.507 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 26.0 m-85 -125.36 95.32 4.43 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 121.36 0.6 . . . . 0.0 111.886 179.537 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.422 ' HG1' ' HG1' ' A' ' 44' ' ' THR . 2.7 p -75.42 126.45 31.04 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.302 179.313 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.7 t -112.24 111.54 36.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.978 179.345 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.645 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 26.4 m -100.5 116.24 31.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.914 0.387 . . . . 0.0 111.783 -178.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.312 -0.851 . . . . 0.0 111.315 179.909 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.454 ' HG3' ' CE1' ' B' ' 3' ' ' TYR . 52.5 tpp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.976 0.417 . . . . 0.0 111.572 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -98.36 129.9 45.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.403 178.792 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.454 ' CE1' ' HG3' ' B' ' 1' ' ' MET . 86.9 m-85 -116.92 146.39 43.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 0.0 111.462 -179.587 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.615 ' O ' HG23 ' A' ' 51' ' ' THR . 55.0 tptt -108.66 100.46 9.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.084 179.891 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.605 ' HB ' HG23 ' B' ' 16' ' ' THR . 94.7 t -93.98 132.74 37.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.967 0.413 . . . . 0.0 110.981 -179.451 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.741 HG22 ' OD1' ' B' ' 8' ' ' ASN . 60.0 mt -112.14 133.02 59.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.57 -179.888 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 16.0 mt -111.64 93.49 4.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 -179.219 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.741 ' OD1' HG22 ' B' ' 6' ' ' ILE . 6.2 m120 -98.1 109.66 22.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.528 -179.426 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.47 -165.98 14.27 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.555 179.602 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.473 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.3 mtmp? -81.02 -55.87 4.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.922 0.392 . . . . 0.0 110.443 179.743 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.412 ' HB ' HG11 ' A' ' 29' ' ' VAL . 3.6 p -105.3 3.55 30.04 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.025 -179.596 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 1.011 HD13 ' HB ' ' A' ' 18' ' ' THR . 23.6 tp -139.62 138.81 36.45 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.25 0.548 . . . . 0.0 111.809 -179.287 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.518 ' H ' HD12 ' B' ' 12' ' ' LEU . 2.1 mptp? -143.89 145.45 32.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.583 179.107 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.509 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.26 -172.23 42.45 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 119.774 -1.203 . . . . 0.0 113.544 -179.894 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.513 ' HB3' ' HE3' ' B' ' 4' ' ' LYS . 52.9 mp0 -141.07 151.14 43.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.403 -0.399 . . . . 0.0 110.219 179.712 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.777 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -151.15 168.46 24.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.989 -179.579 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.54 HG22 ' HA ' ' B' ' 4' ' ' LYS . 72.5 p -143.46 120.56 11.44 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -178.693 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 1.009 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.0 t -112.0 147.24 36.37 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.632 178.529 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -110.16 120.89 43.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.591 0.234 . . . . 0.0 110.787 -179.949 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.504 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -149.1 153.5 37.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.195 0.521 . . . . 0.0 112.101 -179.808 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 25.2 t -51.01 -25.89 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.871 -179.177 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.466 ' OD1' HG23 ' B' ' 25' ' ' THR . 6.8 p-10 -157.33 174.48 15.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 111.607 179.563 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.461 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -58.85 -43.01 90.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.669 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.62 -56.44 19.82 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.448 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.847 ' O ' HG23 ' B' ' 29' ' ' VAL . 26.0 p -50.67 -44.39 57.73 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.308 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.757 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.15 -51.77 68.18 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.936 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -51.83 -50.2 61.33 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.009 179.341 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -45.71 86.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.491 179.437 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.847 HG23 ' O ' ' B' ' 25' ' ' THR . 92.5 t -56.48 -40.4 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.538 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.763 ' CG2' HG21 ' B' ' 18' ' ' THR . 99.7 t -66.74 -49.5 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 177.732 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.453 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . 95.2 mttt -47.01 -48.22 21.9 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.375 0.607 . . . . 0.0 110.171 178.499 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -59.32 -34.9 72.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.595 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.861 ' CG ' HD23 ' A' ' 12' ' ' LEU . 35.6 t80 -54.86 -62.32 1.74 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.004 179.078 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -68.6 -40.67 80.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.868 179.61 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.416 ' ND2' HG22 ' A' ' 39' ' ' VAL . 30.9 t-20 -49.55 -38.72 31.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.618 0.723 . . . . 0.0 109.731 178.313 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -94.86 -24.71 16.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.668 -1.151 . . . . 0.0 112.769 -179.484 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.0 m-20 -76.37 -41.86 46.63 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.062 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.18 -120.13 0.0 OUTLIER Glycine 0 CA--C 1.521 0.411 0 CA-C-N 114.465 -1.243 . . . . 0.0 115.884 179.841 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.414 HG22 ' ND2' ' A' ' 35' ' ' ASN . 88.7 t -84.91 -55.13 7.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 -175.731 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -86.9 26.79 1.08 Allowed 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -177.087 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.01 159.54 53.93 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 119.831 -1.176 . . . . 0.0 112.017 179.422 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -88.15 96.63 10.61 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.361 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.559 ' CH2' HG12 ' A' ' 30' ' ' VAL . 7.2 m0 -100.29 121.26 41.2 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.257 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . 0.414 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 63.0 p -105.54 134.93 47.85 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.671 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.504 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 14.0 t80 -106.72 142.08 36.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.071 0.462 . . . . 0.0 112.062 -178.626 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.455 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 65.2 t0 -123.49 81.29 1.88 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.386 179.053 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.58 -35.99 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.552 -179.492 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.455 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.11 -34.09 20.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.261 -179.191 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 72.4 p -128.34 12.78 6.55 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.494 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm 54.1 30.63 12.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.938 0.399 . . . . 0.0 110.395 -179.565 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 4' ' ' LYS . 95.5 m -105.25 149.36 26.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.655 -178.819 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.504 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 25.9 m-85 -125.35 95.34 4.43 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.424 0.631 . . . . 0.0 111.907 179.539 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.414 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 2.7 p -75.45 126.51 31.16 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.356 179.311 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 71.8 t -112.19 111.51 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.047 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.651 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 26.3 m -100.56 116.23 32.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.92 0.391 . . . . 0.0 111.784 -178.917 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.258 179.979 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.403 ' O ' ' HA ' ' A' ' 17' ' ' THR . 4.3 m-85 -129.38 148.51 51.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.742 0.306 . . . . 0.0 110.944 -179.738 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.817 ' O ' HG23 ' B' ' 51' ' ' THR . 24.4 ttmm -108.01 107.84 18.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.172 179.716 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.66 HG13 ' HB2' ' B' ' 52' ' ' PHE . 61.9 t -94.12 124.09 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.394 0.616 . . . . 0.0 111.496 -179.091 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' B' ' 53' ' ' THR . 72.2 mt -94.92 120.67 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.32 179.298 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.458 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.6 mt -99.0 88.64 4.03 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.752 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.531 ' O ' ' HA ' ' B' ' 55' ' ' THR . 32.2 t-20 -97.66 106.81 19.18 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.225 -177.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.84 -165.89 14.05 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.562 -0.827 . . . . 0.0 112.5 179.28 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.481 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.4 mtmp? -76.98 -56.5 4.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.709 0.29 . . . . 0.0 111.053 -179.933 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.63 ' OG1' HG13 ' B' ' 29' ' ' VAL . 7.1 p -108.19 7.86 27.67 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.219 -179.299 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.965 HD13 ' HB ' ' B' ' 18' ' ' THR . 25.7 tp -138.76 137.98 37.21 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.265 0.555 . . . . 0.0 111.532 -179.486 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' H ' HD12 ' A' ' 12' ' ' LEU . 96.9 mttt -145.45 146.29 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.749 179.192 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.542 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.6 -168.69 38.25 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 119.79 -1.195 . . . . 0.0 113.536 -179.854 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -146.54 135.27 22.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.962 0.41 . . . . 0.0 110.451 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.723 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -133.43 168.55 18.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.66 -179.961 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 4' ' ' LYS . 40.1 p -143.21 116.88 9.22 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.734 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.981 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.1 t -103.65 140.33 37.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.599 178.274 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -100.14 108.42 20.55 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.338 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.568 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -143.37 150.23 38.82 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.2 0.524 . . . . 0.0 112.125 -178.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -51.08 -36.86 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.218 -178.827 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.542 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -145.94 172.04 13.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.907 0.384 . . . . 0.0 111.446 179.807 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.63 -42.71 83.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.668 -179.365 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.68 -53.08 59.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.649 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.813 ' O ' HG23 ' A' ' 29' ' ' VAL . 76.9 p -53.51 -45.49 69.75 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.517 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.96 -52.89 63.45 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.092 177.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.34 -48.79 62.33 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.496 179.178 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -60.42 -43.42 96.75 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.07 0.462 . . . . 0.0 109.869 179.253 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 25' ' ' THR . 69.0 t -56.67 -41.41 74.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.243 178.932 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.613 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 30.6 t -66.4 -48.63 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.517 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 28.4 mtpp -49.29 -49.43 43.73 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.057 0.456 . . . . 0.0 110.069 178.711 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -60.66 -37.23 80.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.525 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.879 ' CG ' HD23 ' B' ' 12' ' ' LEU . 47.0 t80 -54.52 -60.44 3.34 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.053 179.087 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.427 ' CE2' HG12 ' A' ' 30' ' ' VAL . 24.2 m-85 -69.73 -39.78 76.59 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.771 179.167 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.468 ' ND2' HG21 ' B' ' 39' ' ' VAL . 35.8 t-20 -49.44 -39.67 34.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.553 0.692 . . . . 0.0 109.778 178.67 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.71 -22.89 17.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.649 -1.16 . . . . 0.0 112.608 -179.861 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.473 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.9 m-20 -79.14 -46.29 18.27 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.61 -0.436 . . . . 0.0 109.943 179.216 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.62 -117.32 0.0 OUTLIER Glycine 0 CA--C 1.52 0.389 0 CA-C-N 114.774 -1.103 . . . . 0.0 115.431 179.86 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.5 t -110.01 5.03 8.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -176.295 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -125.15 12.97 8.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 118.582 0.628 . . . . 0.0 111.94 -179.812 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.29 174.77 53.58 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.607 -0.806 . . . . 0.0 113.062 -179.714 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -96.17 99.38 11.12 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.387 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.604 ' HH2' HG12 ' B' ' 30' ' ' VAL . 20.8 m95 -91.4 111.86 23.53 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.468 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.4 p -108.32 134.9 50.5 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.188 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.497 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 9.0 t80 -111.41 147.08 35.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.053 0.454 . . . . 0.0 111.626 -178.845 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.462 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.8 t0 -123.23 81.9 1.94 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.6 179.509 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.412 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 54.8 m-20 -47.7 -35.16 9.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.617 -179.632 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.54 -33.7 15.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.979 -178.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.9 p -128.2 17.02 6.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.546 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mttm 48.47 35.65 6.2 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.107 0.479 . . . . 0.0 110.404 -179.425 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.808 HG23 ' O ' ' B' ' 4' ' ' LYS . 95.6 m -116.43 140.94 48.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.565 -178.84 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.664 ' HB2' HG13 ' B' ' 5' ' ' VAL . 24.6 m-85 -106.97 130.03 54.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.439 179.417 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 3.0 p -111.23 123.63 50.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.157 0.503 . . . . 0.0 111.593 179.395 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -107.0 106.6 20.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.102 178.697 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.526 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 8.5 m -93.66 109.83 21.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.939 0.399 . . . . 0.0 111.882 -178.267 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.143 179.747 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtm . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 121.089 0.471 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -107.27 147.45 30.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.691 178.894 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' B' ' 17' ' ' THR . 4.1 m-85 -129.42 148.35 51.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.704 0.288 . . . . 0.0 110.996 -179.627 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.808 ' O ' HG23 ' A' ' 51' ' ' THR . 24.4 ttmm -107.9 107.85 18.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.163 179.739 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.664 HG13 ' HB2' ' A' ' 52' ' ' PHE . 60.9 t -94.1 124.01 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.389 0.614 . . . . 0.0 111.559 -179.198 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 53' ' ' THR . 72.3 mt -94.89 120.64 44.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.279 179.352 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mt -98.98 88.58 4.02 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.669 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.526 ' O ' ' HA ' ' A' ' 55' ' ' THR . 32.2 t-20 -97.63 106.86 19.24 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.219 -177.807 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.93 -165.93 14.02 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.499 179.319 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.475 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.3 mtmp? -76.81 -56.69 4.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.868 0.366 . . . . 0.0 111.055 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.635 ' OG1' HG13 ' A' ' 29' ' ' VAL . 7.1 p -108.05 7.74 27.91 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.267 -179.256 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.981 HD13 ' HB ' ' A' ' 18' ' ' THR . 25.5 tp -138.76 138.14 37.35 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.347 0.594 . . . . 0.0 111.462 -179.485 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.458 ' H ' HD12 ' B' ' 12' ' ' LEU . 96.8 mttt -145.46 146.21 31.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.771 179.252 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.542 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.6 -168.66 38.21 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 119.808 -1.187 . . . . 0.0 113.537 -179.878 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -146.55 135.15 22.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.917 0.389 . . . . 0.0 110.505 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.71 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -133.51 168.49 18.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.661 -179.981 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.5 HG22 ' HA ' ' B' ' 4' ' ' LYS . 39.9 p -143.21 117.0 9.29 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.666 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.965 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.1 t -103.7 140.35 37.72 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.512 178.385 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -100.18 108.48 20.6 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.285 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -143.45 150.22 38.7 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.326 0.584 . . . . 0.0 112.138 -178.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.98 -36.99 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.153 -178.776 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.543 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -145.89 172.07 13.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.912 0.387 . . . . 0.0 111.42 179.888 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.65 84.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.616 -179.319 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.54 -53.16 58.89 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.542 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.81 ' O ' HG23 ' B' ' 29' ' ' VAL . 76.6 p -53.65 -45.44 70.22 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.612 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.561 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -59.94 -52.81 63.84 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.167 177.932 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.46 -48.75 62.7 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.512 179.129 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -60.41 -43.39 96.75 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.11 0.481 . . . . 0.0 109.882 179.215 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.81 HG23 ' O ' ' B' ' 25' ' ' THR . 69.0 t -56.78 -41.31 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.183 179.03 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.609 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 31.1 t -66.42 -48.67 80.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.51 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 28.3 mtpp -49.15 -49.49 42.08 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.094 0.473 . . . . 0.0 110.121 178.684 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -60.72 -37.11 80.6 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.073 179.593 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.883 ' CG ' HD23 ' A' ' 12' ' ' LEU . 46.5 t80 -54.6 -60.4 3.4 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.054 179.053 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.431 ' CE2' HG12 ' B' ' 30' ' ' VAL . 24.2 m-85 -69.69 -39.84 76.71 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.726 179.157 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.459 ' ND2' HG21 ' A' ' 39' ' ' VAL . 35.8 t-20 -49.43 -39.73 33.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.562 0.696 . . . . 0.0 109.814 178.661 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.68 -22.85 17.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.574 -1.194 . . . . 0.0 112.634 -179.849 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.474 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.9 m-20 -79.08 -46.28 18.4 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.019 0.438 . . . . 0.0 109.976 179.182 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.8 -117.32 0.0 OUTLIER Glycine 0 C--N 1.334 0.429 0 CA-C-N 114.724 -1.125 . . . . 0.0 115.335 179.932 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.647 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.5 t -110.02 5.12 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -176.233 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -125.22 13.1 8.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 118.565 0.62 . . . . 0.0 111.941 -179.886 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.41 174.8 53.48 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.988 -179.657 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -96.2 99.29 11.03 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.487 179.675 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.6 ' HH2' HG12 ' A' ' 30' ' ' VAL . 20.4 m95 -91.28 111.79 23.42 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -178.404 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 72.7 p -108.27 134.85 50.53 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.128 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 9.0 t80 -111.37 147.11 35.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.031 0.443 . . . . 0.0 111.663 -178.877 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.46 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.8 t0 -123.23 81.93 1.94 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.602 179.507 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.412 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 54.5 m-20 -47.73 -35.13 9.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.674 -179.642 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.46 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.68 -33.55 16.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.941 -178.907 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 72.6 p -128.32 17.03 6.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.458 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mttm 48.57 35.55 6.24 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.054 0.454 . . . . 0.0 110.362 -179.557 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.817 HG23 ' O ' ' A' ' 4' ' ' LYS . 95.3 m -116.38 141.0 48.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.648 -178.882 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.66 ' HB2' HG13 ' A' ' 5' ' ' VAL . 24.6 m-85 -106.98 130.05 54.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.326 179.58 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -111.32 123.55 50.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.209 0.528 . . . . 0.0 111.451 179.449 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -106.99 106.68 21.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.039 178.601 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.531 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 8.4 m -93.67 109.89 21.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.071 0.463 . . . . 0.0 111.811 -178.342 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.171 -0.918 . . . . 0.0 111.142 179.65 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.676 0.274 . . . . 0.0 110.478 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -125.02 140.41 52.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.068 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.507 ' O ' HG23 ' B' ' 51' ' ' THR . 4.8 ttmp? -105.59 110.33 22.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.067 179.367 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.626 HG21 HG21 ' A' ' 30' ' ' VAL . 59.7 t -94.89 135.27 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-O 121.242 0.544 . . . . 0.0 110.789 -179.824 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.822 HG22 ' OD1' ' A' ' 8' ' ' ASN . 69.2 mt -110.85 130.25 64.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.353 -179.775 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.523 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.6 mt -109.6 102.78 11.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.242 -179.427 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.822 ' OD1' HG22 ' A' ' 6' ' ' ILE . 6.2 m120 -105.36 102.68 12.15 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.048 -178.794 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.19 151.34 17.64 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.539 179.173 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -46.27 -55.91 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.77 0.319 . . . . 0.0 111.705 -179.82 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.607 ' HB ' HG11 ' B' ' 29' ' ' VAL . 3.2 p -98.89 -4.85 32.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.064 -178.848 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.966 HD13 ' HB ' ' B' ' 18' ' ' THR . 18.4 tp -137.17 137.14 38.86 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.359 -179.558 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.515 ' H ' HD12 ' A' ' 12' ' ' LEU . 27.6 mtpp -145.25 145.56 31.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.68 179.599 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.517 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.64 -171.17 42.8 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.095 -1.05 . . . . 0.0 113.589 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -138.08 151.15 47.54 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.57 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.768 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -151.21 168.99 23.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.956 -179.435 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.487 ' O ' HD12 ' B' ' 12' ' ' LEU . 73.2 p -143.67 122.84 12.93 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -179.023 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.967 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.9 t -111.17 144.51 40.21 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.964 178.874 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -104.78 113.67 27.4 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 179.602 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -146.11 151.29 37.46 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.245 0.545 . . . . 0.0 112.02 -179.327 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.3 t -50.94 -26.97 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.971 -179.006 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.481 ' OD1' HG23 ' A' ' 25' ' ' THR . 7.3 p-10 -158.95 174.44 14.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.964 0.411 . . . . 0.0 111.778 179.564 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.65 -42.42 88.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.204 -179.595 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.408 ' O ' ' HD3' ' A' ' 28' ' ' LYS . . . -62.16 -57.73 10.42 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.189 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.91 ' O ' HG23 ' A' ' 29' ' ' VAL . 31.1 p -50.53 -44.85 56.45 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.038 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.742 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.26 -49.86 76.21 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.528 178.246 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 2.8 tp10 -52.14 -48.4 64.9 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.431 179.617 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 10.9 mptt -65.58 -48.97 70.52 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.551 179.46 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 25' ' ' THR . 57.5 t -49.51 -41.36 15.71 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.543 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 26' ' ' ALA . 63.0 t -64.07 -46.38 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.555 177.393 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.62 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 37.3 mmtm -47.55 -52.96 15.87 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-O 121.134 0.493 . . . . 0.0 109.711 178.766 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.452 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 3.6 tp-100 -57.59 -39.67 77.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.268 179.658 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.829 ' CD2' HD23 ' B' ' 12' ' ' LEU . 19.1 t80 -51.85 -67.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.007 179.411 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.451 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 26.1 m-85 -63.95 -36.86 85.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.208 179.439 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.452 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 29.4 t-20 -53.72 -38.81 64.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.391 0.615 . . . . 0.0 110.004 178.57 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -92.29 -24.01 19.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.864 -179.599 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 38' ' ' GLY . 79.7 m-20 -82.44 -46.13 13.88 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.013 0.435 . . . . 0.0 110.618 179.724 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -15.44 -110.84 0.0 OUTLIER Glycine 0 CA--C 1.52 0.361 0 N-CA-C 115.921 1.129 . . . . 0.0 115.921 -179.23 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 39' ' ' VAL . 22.7 t -111.15 5.4 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -176.7 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -125.61 6.35 7.53 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.869 -0.519 . . . . 0.0 111.539 179.891 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.58 176.03 51.0 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.234 -179.417 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 2.3 mp0 -117.22 121.15 40.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.751 0.31 . . . . 0.0 110.3 179.532 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.658 ' CG ' HG22 ' A' ' 54' ' ' VAL . 10.6 m0 -120.15 144.55 47.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.051 -179.847 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.5 p -113.73 142.78 45.62 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.159 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.488 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 14.2 t80 -109.21 142.37 40.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.979 0.419 . . . . 0.0 111.871 -178.785 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.433 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.3 t70 -123.48 81.68 1.92 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.301 179.296 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -48.33 -36.27 14.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.612 -179.485 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.433 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.93 -31.06 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.952 -179.274 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.9 p -128.13 13.59 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.77 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 50.98 33.14 8.4 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.763 0.316 . . . . 0.0 110.616 -179.755 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.554 HG21 ' CD1' ' B' ' 6' ' ' ILE . 93.4 m -121.76 141.7 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.272 0.558 . . . . 0.0 111.9 -178.822 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.488 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -111.39 147.17 35.79 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.156 179.67 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -122.26 128.97 51.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.043 0.449 . . . . 0.0 111.323 178.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.658 HG22 ' CG ' ' A' ' 43' ' ' TRP . 68.3 t -108.64 112.52 40.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.981 179.325 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.589 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 31.3 m -105.68 119.32 38.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.825 0.345 . . . . 0.0 111.917 -178.821 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.792 179.89 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.469 ' CE ' ' CZ ' ' B' ' 3' ' ' TYR . 4.9 tmm? . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.619 0.247 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -95.85 134.98 38.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.764 0.316 . . . . 0.0 110.428 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.469 ' CZ ' ' CE ' ' B' ' 1' ' ' MET . 93.9 m-85 -125.03 140.48 52.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.997 -179.916 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.507 ' O ' HG23 ' A' ' 51' ' ' THR . 4.8 ttmp? -105.59 110.26 22.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.109 179.36 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.626 HG21 HG21 ' B' ' 30' ' ' VAL . 59.9 t -94.84 135.31 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 121.245 0.545 . . . . 0.0 110.771 -179.804 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.83 HG22 ' OD1' ' B' ' 8' ' ' ASN . 69.2 mt -110.91 130.26 64.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.335 -179.789 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.5 mt -109.65 102.86 11.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.181 -179.431 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.83 ' OD1' HG22 ' B' ' 6' ' ' ILE . 6.2 m120 -105.38 102.73 12.18 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.092 -178.87 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.32 151.21 17.64 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.456 179.312 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -46.11 -55.99 6.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.744 0.307 . . . . 0.0 111.811 -179.923 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.617 ' HB ' HG11 ' A' ' 29' ' ' VAL . 3.2 p -98.71 -4.91 32.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.105 -178.915 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.967 HD13 ' HB ' ' A' ' 18' ' ' THR . 18.3 tp -137.17 137.16 38.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.743 0.306 . . . . 0.0 111.356 -179.446 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.521 ' H ' HD12 ' B' ' 12' ' ' LEU . 27.6 mtpp -145.34 145.48 31.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.631 179.671 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.519 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.71 -171.11 42.68 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.011 -1.09 . . . . 0.0 113.597 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -138.15 151.16 47.47 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.593 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.772 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -151.22 169.06 22.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.033 -179.503 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.484 ' O ' HD12 ' A' ' 12' ' ' LEU . 72.7 p -143.77 122.75 12.79 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.737 0.644 . . . . 0.0 112.737 -178.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.966 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.7 t -111.1 144.44 40.22 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.872 178.924 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -104.65 113.67 27.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.47 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -146.23 151.31 37.38 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.253 0.549 . . . . 0.0 111.952 -179.327 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 31.2 t -50.91 -26.94 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.97 -178.929 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.473 ' OD1' HG23 ' B' ' 25' ' ' THR . 7.3 p-10 -158.93 174.41 15.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 111.731 179.635 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.6 -42.44 88.1 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.3 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . 0.403 ' O ' ' HD3' ' B' ' 28' ' ' LYS . . . -62.15 -57.79 10.21 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.139 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.908 ' O ' HG23 ' B' ' 29' ' ' VAL . 31.4 p -50.47 -44.84 55.84 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.027 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.742 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.3 -49.79 76.49 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.567 178.274 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 2.8 tp10 -52.2 -48.32 65.13 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.502 179.59 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' B' ' 31' ' ' LYS . 10.9 mptt -65.63 -48.79 71.01 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.615 179.345 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.908 HG23 ' O ' ' B' ' 25' ' ' THR . 57.8 t -49.75 -41.24 16.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.621 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.742 HG23 ' O ' ' B' ' 26' ' ' ALA . 63.4 t -64.11 -46.4 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.394 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.616 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 37.3 mmtm -47.53 -53.02 15.56 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-O 121.154 0.502 . . . . 0.0 109.68 178.796 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.457 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 3.6 tp-100 -57.56 -39.6 77.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.324 179.63 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.833 ' CD2' HD23 ' A' ' 12' ' ' LEU . 18.8 t80 -51.97 -67.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.093 179.449 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.451 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 26.0 m-85 -63.93 -36.89 85.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.256 179.33 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.457 ' HB3' ' HA ' ' B' ' 32' ' ' GLN . 29.3 t-20 -53.75 -38.8 64.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.359 0.6 . . . . 0.0 109.963 178.602 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -92.23 -24.07 19.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.855 -179.651 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' B' ' 38' ' ' GLY . 79.7 m-20 -82.56 -45.98 13.94 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.937 0.398 . . . . 0.0 110.626 179.787 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -15.48 -110.79 0.0 OUTLIER Glycine 0 CA--C 1.52 0.402 0 N-CA-C 115.953 1.141 . . . . 0.0 115.953 -179.301 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.643 HG12 ' O ' ' B' ' 39' ' ' VAL . 22.6 t -111.26 5.49 8.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -176.745 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -125.64 6.33 7.51 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.862 -0.523 . . . . 0.0 111.634 179.804 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.53 176.04 51.08 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.562 -0.828 . . . . 0.0 113.216 -179.436 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 2.3 mp0 -117.2 121.1 40.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.675 0.274 . . . . 0.0 110.376 179.538 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.661 ' CG ' HG22 ' B' ' 54' ' ' VAL . 10.5 m0 -119.96 144.46 47.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.153 -179.816 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 68.7 p -113.75 142.7 45.72 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.206 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.49 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 14.2 t80 -109.22 142.32 40.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.984 0.421 . . . . 0.0 111.895 -178.825 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.433 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.3 t70 -123.38 81.62 1.91 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.386 179.206 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -48.23 -36.23 13.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.624 -179.457 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.433 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.03 -31.05 11.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.914 -179.233 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.8 p -128.1 13.55 6.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -179.837 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp 51.11 33.03 8.55 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.751 0.31 . . . . 0.0 110.605 -179.821 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.554 HG21 ' CD1' ' A' ' 6' ' ' ILE . 93.0 m -121.71 141.7 50.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.23 0.538 . . . . 0.0 112.004 -178.876 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.49 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 0.9 OUTLIER -111.43 147.3 35.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.183 179.712 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.0 p -122.26 128.97 51.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.054 0.454 . . . . 0.0 111.28 179.12 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.661 HG22 ' CG ' ' B' ' 43' ' ' TRP . 68.0 t -108.73 112.58 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.912 179.336 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.597 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 32.0 m -105.82 119.28 38.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.361 . . . . 0.0 111.892 -178.804 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.805 179.881 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 . . . . . 0 C--O 1.232 0.146 0 N-CA-C 110.163 -0.31 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -130.79 148.68 52.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.873 0.368 . . . . 0.0 110.762 -179.922 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' B' ' 51' ' ' THR . 5.0 ttpm? -107.41 151.2 25.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.913 179.444 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.741 ' HB ' HG23 ' A' ' 16' ' ' THR . 58.2 t -134.57 121.94 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.416 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.526 ' HB ' HG22 ' B' ' 53' ' ' THR . 76.8 mt -94.74 124.83 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.057 179.497 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.473 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 12.3 mt -105.73 85.96 2.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.445 -179.23 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.612 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.3 m120 -94.05 109.75 21.49 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.747 -179.302 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.422 ' HA3' ' HE1' ' B' ' 33' ' ' PHE . . . -116.44 -165.86 14.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.671 179.568 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.464 ' NZ ' ' HB3' ' A' ' 10' ' ' LYS . 0.9 OUTLIER -75.94 -58.0 3.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.11 0.481 . . . . 0.0 110.558 179.957 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.504 ' OG1' HG13 ' B' ' 29' ' ' VAL . 6.6 p -108.79 8.49 26.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.237 -179.329 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.978 HD13 ' HB ' ' B' ' 18' ' ' THR . 23.9 tp -140.08 139.58 35.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.192 0.52 . . . . 0.0 111.489 -179.407 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.495 ' H ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -145.22 147.17 32.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.012 179.391 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.09 -166.14 35.5 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 119.839 -1.172 . . . . 0.0 113.666 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -149.1 152.7 36.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.932 0.396 . . . . 0.0 110.683 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.741 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -151.06 169.48 21.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.633 -179.69 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.464 ' O ' HD12 ' B' ' 12' ' ' LEU . 43.0 p -142.22 119.59 11.58 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -178.49 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.984 ' HB ' HD13 ' B' ' 12' ' ' LEU . 15.0 t -107.79 141.61 39.1 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.571 179.25 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -98.6 110.34 22.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.885 179.29 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.686 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -146.62 147.43 31.06 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 121.255 0.55 . . . . 0.0 111.953 -179.15 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.2 -35.36 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.438 -178.792 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.6 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -148.84 172.75 14.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 0.0 111.391 179.892 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.03 -43.16 86.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.496 -179.452 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.58 -54.32 41.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.694 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.875 ' O ' HG23 ' A' ' 29' ' ' VAL . 71.0 p -53.9 -45.81 71.22 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 178.281 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.686 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.1 -54.16 50.19 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 177.8 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -48.18 -49.28 33.21 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.214 178.811 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -61.1 -45.22 95.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.748 178.964 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 25' ' ' THR . 98.7 t -58.16 -39.52 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.195 179.085 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.615 HG12 ' CH2' ' B' ' 43' ' ' TRP . 99.0 t -68.69 -51.58 44.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.268 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 51.5 mttp -50.48 -41.58 53.34 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.872 0.367 . . . . 0.0 110.05 178.616 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -64.03 -37.11 86.25 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.457 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.912 ' CG ' HD23 ' B' ' 12' ' ' LEU . 51.0 t80 -55.01 -60.38 3.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.215 179.171 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -69.28 -40.38 77.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.796 179.497 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 28.6 t-20 -50.56 -38.3 44.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.499 0.666 . . . . 0.0 109.89 178.54 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.29 -23.32 17.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.431 -179.659 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.2 m-20 -80.89 -46.74 14.77 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.664 -0.414 . . . . 0.0 109.946 179.178 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.32 -115.58 0.0 OUTLIER Glycine 0 CA--C 1.52 0.374 0 N-CA-C 115.683 1.033 . . . . 0.0 115.683 179.743 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 39' ' ' VAL . 24.7 t -103.85 -0.44 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -175.947 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -125.2 16.7 8.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 119.126 0.875 . . . . 0.0 112.086 -179.626 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.86 167.81 53.05 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.488 -0.863 . . . . 0.0 113.145 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 47.6 mp0 -95.3 99.48 11.42 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.288 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.613 ' CH2' HG12 ' B' ' 30' ' ' VAL . 10.5 m0 -99.45 123.34 43.64 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -177.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.1 p -109.94 135.9 50.07 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 177.8 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.511 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 26.3 t80 -104.86 144.57 31.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.068 0.461 . . . . 0.0 111.938 -178.727 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.437 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 63.9 t0 -123.21 81.23 1.86 Allowed 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.649 179.32 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.57 -36.57 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.795 -179.392 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.437 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.97 -33.67 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -178.887 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.7 p -128.32 15.74 6.64 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.659 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm 52.39 31.97 10.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.946 0.403 . . . . 0.0 110.293 -179.695 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 97.6 m -105.94 151.65 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.171 -179.385 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.561 ' O ' HG13 ' B' ' 5' ' ' VAL . 22.8 m-85 -124.61 95.77 4.65 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.108 0.48 . . . . 0.0 111.51 179.602 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.526 HG22 ' HB ' ' B' ' 6' ' ' ILE . 2.5 p -75.22 124.91 27.9 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.787 179.715 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.6 t -108.28 98.59 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.277 178.81 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 3.5 m -91.89 116.54 29.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.499 -178.677 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.783 179.88 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.415 ' O ' ' OE2' ' B' ' 19' ' ' GLU . 49.5 ttp . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.773 0.32 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -102.61 144.34 31.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.252 179.276 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.413 ' CZ ' ' HE3' ' B' ' 1' ' ' MET . 3.0 m-85 -130.78 148.72 52.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.97 0.414 . . . . 0.0 110.78 -179.933 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 51' ' ' THR . 5.0 ttpm? -107.48 151.28 25.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.911 179.473 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.731 ' HB ' HG23 ' B' ' 16' ' ' THR . 58.0 t -134.7 121.83 36.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.275 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.526 ' HB ' HG22 ' A' ' 53' ' ' THR . 76.7 mt -94.65 124.78 47.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.14 179.497 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 12.3 mt -105.77 85.9 2.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.435 -179.172 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.614 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.3 m120 -94.04 109.76 21.49 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.842 -179.357 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.422 ' HA3' ' HE1' ' A' ' 33' ' ' PHE . . . -116.45 -165.91 14.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.597 179.673 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.466 ' NZ ' ' HB3' ' B' ' 10' ' ' LYS . 0.9 OUTLIER -75.92 -58.03 3.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.022 0.439 . . . . 0.0 110.536 179.96 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.503 ' OG1' HG13 ' A' ' 29' ' ' VAL . 6.5 p -108.71 8.59 26.94 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.291 -179.333 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.984 HD13 ' HB ' ' A' ' 18' ' ' THR . 23.8 tp -140.21 139.43 35.64 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.149 0.5 . . . . 0.0 111.512 -179.315 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.492 ' H ' HD12 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -145.13 147.21 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.993 179.409 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.505 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.01 -166.21 35.66 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 119.825 -1.179 . . . . 0.0 113.658 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -149.05 152.77 36.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.878 0.37 . . . . 0.0 110.715 -179.915 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.731 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.1 OUTLIER -151.14 169.36 22.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.702 -179.624 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.453 ' O ' HD12 ' A' ' 12' ' ' LEU . 42.3 p -142.17 119.6 11.62 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.426 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.978 ' HB ' HD13 ' A' ' 12' ' ' LEU . 14.9 t -107.75 141.61 39.03 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.599 179.22 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' B' ' 1' ' ' MET . 17.9 tp10 -98.58 110.19 22.83 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.304 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.68 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -146.53 147.55 31.26 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.173 0.511 . . . . 0.0 112.036 -179.281 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.23 -35.48 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.312 -178.733 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.6 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -148.87 172.72 14.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.867 0.365 . . . . 0.0 111.394 179.892 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.22 86.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.526 -179.417 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.48 -54.21 43.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.604 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.88 ' O ' HG23 ' B' ' 29' ' ' VAL . 70.9 p -54.01 -45.75 71.61 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.309 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.68 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -59.23 -54.11 50.65 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 177.896 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -48.21 -49.18 33.92 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.24 178.817 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -61.14 -45.34 95.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.743 178.97 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.88 HG23 ' O ' ' B' ' 25' ' ' THR . 97.2 t -58.03 -39.54 72.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.141 179.082 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.613 HG12 ' CH2' ' A' ' 43' ' ' TRP . 98.9 t -68.77 -51.64 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.403 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 51.5 mttp -50.37 -41.57 52.02 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 120.915 0.388 . . . . 0.0 110.105 178.612 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -63.97 -37.29 86.86 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.436 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.901 ' CG ' HD23 ' A' ' 12' ' ' LEU . 50.9 t80 -54.83 -60.43 3.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.276 179.109 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -69.32 -40.21 77.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.822 179.506 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' B' ' 31' ' ' LYS . 28.6 t-20 -50.85 -38.21 47.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.477 0.656 . . . . 0.0 109.885 178.515 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.24 -23.27 17.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.878 -1.055 . . . . 0.0 112.444 -179.767 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.4 m-20 -80.93 -46.56 14.99 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.022 179.179 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.57 -115.65 0.0 OUTLIER Glycine 0 CA--C 1.52 0.39 0 N-CA-C 115.627 1.011 . . . . 0.0 115.627 179.751 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.616 HG12 ' O ' ' B' ' 39' ' ' VAL . 24.0 t -103.66 -0.39 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -175.952 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -125.3 16.96 8.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 119.061 0.846 . . . . 0.0 112.06 -179.722 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.82 167.79 53.07 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.099 -179.66 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.46 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 48.0 mp0 -95.29 99.64 11.55 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.22 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.615 ' CH2' HG12 ' A' ' 30' ' ' VAL . 10.5 m0 -99.73 123.27 43.83 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -177.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.7 p -109.86 135.8 50.17 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.888 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 26.1 t80 -104.92 144.66 31.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.999 0.428 . . . . 0.0 111.988 -178.805 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.429 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.1 t0 -123.26 81.28 1.87 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.634 179.432 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.63 -36.63 7.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.844 -179.366 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.429 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.8 -33.79 17.62 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.929 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.3 p -128.25 15.63 6.68 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.613 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 52.34 31.98 10.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.894 0.378 . . . . 0.0 110.36 -179.591 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 97.2 m -105.68 151.68 24.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.307 -179.498 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.558 ' O ' HG13 ' A' ' 5' ' ' VAL . 22.9 m-85 -124.72 95.78 4.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.158 0.504 . . . . 0.0 111.45 179.569 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.526 HG22 ' HB ' ' A' ' 6' ' ' ILE . 2.6 p -75.28 124.96 28.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.798 179.635 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.9 t -108.3 98.67 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.279 178.739 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.612 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 3.6 m -92.02 116.45 28.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.592 -178.739 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.874 179.935 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 . . . . . 0 N--CA 1.458 -0.037 0 CA-C-O 120.869 0.366 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.456 ' CE2' ' HE3' ' B' ' 50' ' ' LYS . 12.9 m-85 -121.37 148.83 43.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.744 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.594 ' O ' HG23 ' B' ' 51' ' ' THR . 62.8 tttp -108.29 104.88 14.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.111 179.782 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.61 HG21 HG21 ' A' ' 30' ' ' VAL . 64.2 t -94.4 120.33 43.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.442 0.639 . . . . 0.0 111.36 -179.381 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.406 ' CD1' HG21 ' B' ' 51' ' ' THR . 68.7 mt -96.03 125.67 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.868 179.838 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.49 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 19.2 mt -104.82 93.52 4.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.5 179.606 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.7 t-20 -100.35 109.45 21.64 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.792 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.437 ' CA ' ' HB3' ' B' ' 56' ' ' GLU . . . -118.47 -166.29 13.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.606 179.217 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.57 ' HG2' ' HG2' ' B' ' 56' ' ' GLU . 4.9 mmmp? -80.33 -57.27 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 0.0 111.025 179.918 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.449 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 8.2 p -103.76 3.87 34.57 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.274 -179.482 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.968 HD13 ' HB ' ' B' ' 18' ' ' THR . 22.8 tp -137.76 138.47 39.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.316 0.579 . . . . 0.0 111.619 -179.461 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.524 ' H ' HD12 ' A' ' 12' ' ' LEU . 51.1 mtmt -145.18 143.68 30.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.824 179.449 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.487 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.53 -174.64 42.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 119.845 -1.169 . . . . 0.0 113.577 -179.94 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -140.97 135.91 31.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.8 0.334 . . . . 0.0 110.176 179.696 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.781 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -135.67 167.21 21.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.991 -179.818 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.573 HG22 ' HA ' ' A' ' 4' ' ' LYS . 51.2 p -143.35 119.08 10.48 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -178.588 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.976 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.0 t -107.59 144.45 34.61 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.89 178.617 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -102.75 114.08 28.03 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.437 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.538 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -148.2 152.39 37.14 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.305 0.574 . . . . 0.0 112.287 -179.212 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.3 t -51.11 -35.57 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.329 -178.899 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.511 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -148.41 172.13 14.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.37 . . . . 0.0 111.453 179.832 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.33 -42.71 87.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.375 -179.467 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.3 -55.63 26.31 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.452 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.878 ' O ' HG23 ' A' ' 29' ' ' VAL . 35.1 p -51.73 -44.66 63.32 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.362 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.882 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.49 -51.24 70.3 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.058 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 89.3 tt0 -51.37 -50.18 60.05 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.755 179.359 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -64.28 -45.16 89.27 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.547 179.384 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 25' ' ' THR . 98.6 t -55.07 -40.86 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.657 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 26' ' ' ALA . 22.0 t -65.63 -47.13 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.295 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.473 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 9.4 mtpm? -47.51 -49.6 25.54 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.368 0.604 . . . . 0.0 109.724 178.509 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.401 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 24.8 tt0 -58.61 -37.15 75.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.461 179.933 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.895 ' CG ' HD23 ' B' ' 12' ' ' LEU . 47.0 t80 -53.8 -64.82 0.7 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.874 178.863 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.462 ' CE2' HG12 ' A' ' 30' ' ' VAL . 28.5 m-85 -65.57 -39.14 91.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.347 179.22 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.493 ' ND2' HG21 ' B' ' 39' ' ' VAL . 34.8 t-20 -50.61 -38.82 47.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.487 0.66 . . . . 0.0 109.774 178.42 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -94.52 -22.29 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.195 -179.807 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.487 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.5 m-20 -83.32 -46.6 12.42 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.675 179.826 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -10.71 -112.19 0.0 OUTLIER Glycine 0 CA--C 1.522 0.495 0 N-CA-C 115.678 1.031 . . . . 0.0 115.678 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.5 t -111.3 5.32 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -176.419 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -122.62 10.76 9.75 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.74 -0.6 . . . . 0.0 111.987 -179.626 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.18 179.31 50.83 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.895 -179.826 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 49.0 mp0 -103.95 103.91 13.81 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.596 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.561 ' HH2' HG12 ' B' ' 30' ' ' VAL . 12.9 m95 -94.74 118.69 32.15 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.638 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.7 p -111.47 138.09 48.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.578 178.424 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.532 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 9.6 t80 -110.54 145.91 36.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 111.655 -178.889 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.551 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.3 t70 -123.15 81.85 1.93 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.632 179.61 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.417 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 52.1 m-20 -45.86 -35.71 4.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.808 -179.523 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.551 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.71 -35.86 23.4 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.908 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.2 p -128.23 15.74 6.69 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.759 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HE3' ' CE2' ' B' ' 3' ' ' TYR . 31.3 mmmt 51.87 32.06 9.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.017 0.436 . . . . 0.0 110.048 -179.57 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.604 HG23 ' O ' ' B' ' 4' ' ' LYS . 85.2 m -110.96 149.97 29.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.664 -178.766 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.532 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 31.1 m-85 -119.32 134.05 55.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.996 179.096 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -111.14 93.17 4.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.184 0.516 . . . . 0.0 111.757 179.326 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.4 t -82.6 118.46 30.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.151 178.867 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.463 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 11.0 m -85.09 160.32 20.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.265 0.555 . . . . 0.0 111.796 -178.2 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.564 ' HG2' ' HG2' ' B' ' 10' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.228 179.554 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.726 0.298 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -104.6 138.07 41.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.957 0.408 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.454 ' CE2' ' HE3' ' A' ' 50' ' ' LYS . 13.3 m-85 -121.39 148.83 43.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 179.732 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.604 ' O ' HG23 ' A' ' 51' ' ' THR . 62.8 tttp -108.2 104.81 14.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.306 179.631 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.62 HG21 HG21 ' B' ' 30' ' ' VAL . 63.5 t -94.42 120.38 43.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.445 0.64 . . . . 0.0 111.406 -179.299 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.408 ' CD1' HG21 ' A' ' 51' ' ' THR . 68.9 mt -96.04 125.68 48.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.874 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 19.0 mt -104.77 93.56 4.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.462 179.619 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.7 t-20 -100.53 109.49 21.6 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -177.779 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.443 ' CA ' ' HB3' ' A' ' 56' ' ' GLU . . . -118.42 -166.36 13.64 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.606 179.25 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.564 ' HG2' ' HG2' ' A' ' 56' ' ' GLU . 4.9 mmmp? -80.38 -57.36 3.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.449 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 8.3 p -103.72 3.91 34.74 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.335 -179.429 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.976 HD13 ' HB ' ' A' ' 18' ' ' THR . 22.9 tp -137.67 138.44 39.41 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.197 0.522 . . . . 0.0 111.672 -179.468 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.52 ' H ' HD12 ' B' ' 12' ' ' LEU . 51.1 mtmt -145.21 143.74 30.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.849 179.345 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.55 -174.72 42.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 119.814 -1.184 . . . . 0.0 113.486 -179.824 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -140.96 136.05 31.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.915 0.388 . . . . 0.0 110.136 179.636 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.775 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -135.7 167.24 21.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.946 -179.764 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.573 HG22 ' HA ' ' B' ' 4' ' ' LYS . 50.7 p -143.46 119.02 10.37 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -178.629 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.968 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.1 t -107.57 144.43 34.6 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.924 178.607 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -102.71 113.91 27.71 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.488 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.53 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -148.09 152.36 37.22 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.235 0.541 . . . . 0.0 112.416 -179.239 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.2 t -51.18 -35.53 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.258 -178.872 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.503 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -148.42 172.14 14.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.899 0.38 . . . . 0.0 111.404 179.891 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.2 -42.88 87.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.394 -179.562 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.18 -55.61 26.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.48 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.875 ' O ' HG23 ' B' ' 29' ' ' VAL . 35.5 p -51.76 -44.67 63.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.363 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.869 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.41 -51.31 70.02 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.04 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' B' ' 31' ' ' LYS . 89.2 tt0 -51.28 -50.21 59.73 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.879 179.288 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -64.32 -45.07 89.51 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.549 179.366 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.875 HG23 ' O ' ' B' ' 25' ' ' THR . 98.7 t -55.04 -40.93 56.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.574 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.869 HG23 ' O ' ' B' ' 26' ' ' ALA . 21.9 t -65.52 -47.17 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.211 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.473 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 9.4 mtpm? -47.46 -49.62 25.04 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.43 0.633 . . . . 0.0 109.836 178.486 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -58.52 -37.25 75.23 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.392 179.895 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.896 ' CG ' HD23 ' A' ' 12' ' ' LEU . 47.0 t80 -53.75 -64.81 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.921 178.885 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.466 ' CE2' HG12 ' B' ' 30' ' ' VAL . 28.6 m-85 -65.48 -39.28 91.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.376 179.132 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.488 ' ND2' HG21 ' A' ' 39' ' ' VAL . 34.8 t-20 -50.5 -39.02 47.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.519 0.676 . . . . 0.0 109.762 178.44 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -94.35 -22.46 18.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.794 -1.094 . . . . 0.0 112.21 -179.781 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.487 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.5 m-20 -83.22 -46.69 12.39 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.594 179.895 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -10.77 -112.22 0.0 OUTLIER Glycine 0 CA--C 1.521 0.456 0 N-CA-C 115.689 1.036 . . . . 0.0 115.689 -179.844 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.4 t -111.2 5.31 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -176.416 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -122.54 10.74 9.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.685 -0.634 . . . . 0.0 111.944 -179.622 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.25 179.36 50.75 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.847 -179.734 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 48.8 mp0 -103.99 103.92 13.81 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.61 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.574 ' HH2' HG12 ' A' ' 30' ' ' VAL . 13.1 m95 -94.81 118.65 32.1 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -178.6 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 56.4 p -111.48 138.09 48.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.537 178.393 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.532 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 9.7 t80 -110.55 145.88 37.02 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.859 0.362 . . . . 0.0 111.685 -178.889 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.549 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.3 t70 -123.09 81.98 1.94 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.595 179.628 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.42 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 52.1 m-20 -45.94 -35.77 4.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.73 -179.555 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.549 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.71 -35.81 23.2 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.844 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.2 p -128.33 15.87 6.63 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.744 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.456 ' HE3' ' CE2' ' A' ' 3' ' ' TYR . 31.3 mmmt 51.83 32.05 9.16 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.0 0.429 . . . . 0.0 110.096 -179.596 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 4' ' ' LYS . 85.1 m -111.06 150.0 29.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.542 -178.66 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.532 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 31.0 m-85 -119.36 134.09 55.39 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.96 179.11 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -111.22 93.24 4.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.328 0.585 . . . . 0.0 111.758 179.294 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 49.7 t -82.62 118.43 30.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.169 178.827 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.462 ' O ' ' OD1' ' B' ' 37' ' ' ASN . 10.9 m -85.07 160.35 20.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.229 0.537 . . . . 0.0 111.818 -178.179 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.57 ' HG2' ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.305 179.534 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.703 0.287 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -126.81 143.96 51.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.789 ' O ' HG23 ' B' ' 51' ' ' THR . 40.1 ttmt -105.43 110.13 22.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.699 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.5 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.2 t -95.21 126.73 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.36 0.6 . . . . 0.0 110.766 179.878 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.0 mt -101.75 127.1 55.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.602 -179.921 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.501 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.4 mt -106.59 84.96 2.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.37 -179.32 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.558 ' O ' ' HA ' ' B' ' 55' ' ' THR . 78.9 m-20 -90.66 102.7 15.45 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.122 0.487 . . . . 0.0 112.248 -179.122 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.74 151.95 17.26 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.516 179.248 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -46.02 -58.17 3.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.825 0.345 . . . . 0.0 111.69 179.784 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.442 ' HB ' HG11 ' B' ' 29' ' ' VAL . 4.2 p -98.17 -5.88 32.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.926 -178.945 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.944 HD13 ' HB ' ' B' ' 18' ' ' THR . 14.3 tp -134.53 135.46 42.37 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.055 -179.691 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.512 ' H ' HD12 ' A' ' 12' ' ' LEU . 60.2 mttp -145.14 144.74 31.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.64 179.943 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.503 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.93 -168.63 39.04 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.16 -1.019 . . . . 0.0 113.416 179.78 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -143.47 141.87 30.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.836 0.351 . . . . 0.0 110.462 179.842 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.715 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -142.66 169.19 18.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.129 -179.422 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.55 HG22 ' HA ' ' A' ' 4' ' ' LYS . 70.7 p -143.64 121.55 12.02 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -178.964 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.944 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.9 t -106.07 142.6 35.5 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.892 178.704 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -102.49 114.45 28.66 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 179.648 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.621 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.04 151.06 33.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.229 0.538 . . . . 0.0 112.172 -179.402 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -51.12 -36.73 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.261 -178.732 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.62 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -145.61 171.32 14.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.833 0.349 . . . . 0.0 111.329 179.784 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.31 -42.74 82.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.545 -179.336 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.81 -54.4 39.46 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.587 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.894 ' O ' HG23 ' A' ' 29' ' ' VAL . 76.0 p -52.74 -46.02 67.26 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.426 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.621 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.85 -53.28 59.76 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.04 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 88.9 tt0 -50.62 -48.88 57.85 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.497 178.851 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -58.79 -41.19 86.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 179.493 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 25' ' ' THR . 58.4 t -56.44 -39.96 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.406 179.611 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.592 HG12 ' CH2' ' B' ' 43' ' ' TRP . 57.9 t -62.9 -47.35 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.608 178.795 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' CE ' ' CZ3' ' B' ' 43' ' ' TRP . 1.2 mptm? -50.97 -47.5 61.31 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.464 179.108 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.417 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -64.6 -39.77 94.32 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.846 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.797 ' CD2' HD23 ' B' ' 12' ' ' LEU . 29.6 t80 -53.91 -58.8 5.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.433 179.413 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.483 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 24.3 m-85 -70.23 -38.28 75.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.802 179.604 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.606 HD22 HG21 ' B' ' 39' ' ' VAL . 11.7 t-20 -51.68 -38.59 55.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.353 0.597 . . . . 0.0 110.164 178.409 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -94.01 -24.54 17.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.424 -179.333 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 38' ' ' GLY . 88.2 m-20 -79.28 -46.28 18.08 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.102 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.45 ' HA2' ' CB ' ' B' ' 34' ' ' PHE . . . -7.52 -118.88 0.0 OUTLIER Glycine 0 C--N 1.334 0.439 0 CA-C-N 114.595 -1.184 . . . . 0.0 115.815 179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.664 HG12 ' O ' ' A' ' 39' ' ' VAL . 40.7 t -111.89 4.99 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -176.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -125.29 9.23 7.91 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 121.977 -0.452 . . . . 0.0 111.559 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.33 179.14 51.72 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.853 -179.705 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -114.74 117.92 32.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.926 0.393 . . . . 0.0 110.819 179.785 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.614 ' CG ' HG22 ' A' ' 54' ' ' VAL . 12.0 m0 -121.53 146.38 47.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.799 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -115.33 142.59 46.48 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.3 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 9.7 t80 -109.51 144.74 37.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 111.589 -178.936 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.432 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.8 t0 -123.3 82.93 2.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.698 179.607 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.412 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 54.0 m-20 -45.6 -37.91 6.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.644 -179.642 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.432 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.09 -32.13 14.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.009 -179.134 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.8 p -128.09 13.18 6.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.592 -179.794 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.401 ' CB ' ' NZ ' ' A' ' 50' ' ' LYS . 3.1 mtmp? 47.94 37.88 8.27 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.924 0.392 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.79 HG23 ' O ' ' B' ' 4' ' ' LYS . 94.6 m -121.69 140.71 51.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.404 -179.382 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.509 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.5 m-85 -108.34 145.73 34.03 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.874 179.549 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -122.37 129.81 52.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.241 0.543 . . . . 0.0 111.201 179.316 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.614 HG22 ' CG ' ' A' ' 43' ' ' TRP . 90.4 t -107.95 110.2 31.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.318 179.736 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.557 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 18.0 m -102.65 115.57 30.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.928 0.394 . . . . 0.0 111.381 -179.249 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.713 179.926 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.4 mmm . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.919 0.39 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -99.76 132.65 44.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.445 179.502 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -126.79 143.93 51.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 4' ' ' LYS . . . . . 0.79 ' O ' HG23 ' A' ' 51' ' ' THR . 40.1 ttmt -105.31 110.28 22.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.637 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.503 HG21 HG21 ' B' ' 30' ' ' VAL . 61.5 t -95.28 126.79 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.34 0.591 . . . . 0.0 110.738 179.789 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 68.7 mt -101.91 127.14 55.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.616 -179.935 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.3 mt -106.51 84.91 2.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.343 -179.246 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 8' ' ' ASN . . . . . 0.557 ' O ' ' HA ' ' A' ' 55' ' ' THR . 79.0 m-20 -90.68 102.69 15.44 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.158 -179.129 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.61 151.87 17.33 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.542 179.147 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -45.95 -58.1 3.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.894 0.378 . . . . 0.0 111.808 179.688 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 11' ' ' THR . . . . . 0.443 ' HB ' HG11 ' A' ' 29' ' ' VAL . 4.3 p -98.22 -5.86 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.983 -179.047 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 12' ' ' LEU . . . . . 0.944 HD13 ' HB ' ' A' ' 18' ' ' THR . 14.2 tp -134.55 135.45 42.31 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.965 -179.647 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . 0.513 ' H ' HD12 ' B' ' 12' ' ' LEU . 60.3 mttp -145.2 144.94 31.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.689 179.82 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . 0.505 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.82 -168.68 39.18 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.099 -1.048 . . . . 0.0 113.353 179.876 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -143.31 141.85 31.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.504 179.852 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 16' ' ' THR . . . . . 0.717 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -142.61 169.07 18.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 -179.469 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' B' B ' 17' ' ' THR . . . . . 0.551 HG22 ' HA ' ' B' ' 4' ' ' LYS . 70.6 p -143.57 121.63 12.12 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.072 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 18' ' ' THR . . . . . 0.944 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.8 t -106.09 142.62 35.47 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.825 178.743 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -102.39 114.33 28.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 179.585 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -149.06 151.05 33.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.283 0.563 . . . . 0.0 112.119 -179.403 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -51.0 -36.85 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.296 -178.723 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.623 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -145.48 171.38 14.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.368 . . . . 0.0 111.282 179.77 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.67 82.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.603 -179.405 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.76 -54.44 39.1 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.464 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 25' ' ' THR . . . . . 0.896 ' O ' HG23 ' B' ' 29' ' ' VAL . 75.4 p -52.77 -45.94 67.34 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.371 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -59.79 -53.39 58.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.126 177.9 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . 0.439 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 88.9 tt0 -50.63 -48.9 57.91 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.535 178.893 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -58.72 -41.19 85.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.56 179.455 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.896 HG23 ' O ' ' B' ' 25' ' ' THR . 58.1 t -56.45 -39.97 64.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.444 179.605 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.594 HG12 ' CH2' ' A' ' 43' ' ' TRP . 57.8 t -62.83 -47.5 92.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.573 178.72 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.456 ' CE ' ' CZ3' ' A' ' 43' ' ' TRP . 1.2 mptm? -50.85 -47.51 60.26 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.029 0.443 . . . . 0.0 110.556 179.139 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.42 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -64.71 -39.67 94.04 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.828 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' B' B ' 33' ' ' PHE . . . . . 0.803 ' CD2' HD23 ' A' ' 12' ' ' LEU . 29.7 t80 -53.97 -58.79 5.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.401 179.407 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 34' ' ' PHE . . . . . 0.483 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 24.3 m-85 -70.13 -38.36 75.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.862 179.533 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.607 HD22 HG21 ' A' ' 39' ' ' VAL . 11.7 t-20 -51.72 -38.59 55.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.239 0.542 . . . . 0.0 110.083 178.494 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -94.0 -24.54 17.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.463 -179.375 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' B' ' 38' ' ' GLY . 88.2 m-20 -79.14 -46.37 18.12 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.04 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.453 ' HA2' ' CB ' ' A' ' 34' ' ' PHE . . . -7.59 -118.89 0.0 OUTLIER Glycine 0 C--N 1.334 0.418 0 CA-C-N 114.553 -1.203 . . . . 0.0 115.727 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.66 HG12 ' O ' ' B' ' 39' ' ' VAL . 40.7 t -111.86 5.07 8.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -176.936 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -125.32 9.1 7.88 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 122.024 -0.422 . . . . 0.0 111.634 179.934 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.27 179.24 51.78 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.867 -179.649 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -114.82 117.85 31.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.829 0.347 . . . . 0.0 110.782 179.847 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.611 ' CG ' HG22 ' B' ' 54' ' ' VAL . 12.0 m0 -121.58 146.41 46.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.3 p -115.23 142.62 46.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.386 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 45' ' ' TYR . . . . . 0.506 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 9.8 t80 -109.63 144.75 37.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.934 0.397 . . . . 0.0 111.524 -178.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.426 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.7 t0 -123.28 82.87 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.598 179.726 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 47' ' ' ASP . . . . . 0.413 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 53.9 m-20 -45.6 -37.85 5.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.745 -179.685 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . 0.426 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.0 -32.26 14.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.954 -179.226 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 70.0 p -128.1 13.19 6.71 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.8 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . 0.405 ' HB3' ' HZ3' ' B' ' 50' ' ' LYS . 3.1 mtmp? 47.9 37.9 8.2 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.927 0.394 . . . . 0.0 110.941 -179.823 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 51' ' ' THR . . . . . 0.789 HG23 ' O ' ' A' ' 4' ' ' LYS . 94.8 m -121.68 140.76 51.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.33 -179.371 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.506 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.5 m-85 -108.31 145.62 34.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.879 179.507 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -122.25 129.84 52.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.121 0.486 . . . . 0.0 111.253 179.225 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.611 HG22 ' CG ' ' B' ' 43' ' ' TRP . 93.0 t -107.91 110.32 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.247 179.716 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.558 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 17.8 m -102.68 115.55 30.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.885 0.374 . . . . 0.0 111.452 -179.356 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.721 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.42 ' HG2' ' N ' ' A' ' 2' ' ' GLN . 27.8 ttt . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.806 0.336 . . . . 1.67 111.052 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.42 ' N ' ' HG2' ' A' ' 1' ' ' MET . 54.3 tt0 -105.05 140.26 38.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 1.79 110.366 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -126.6 145.79 50.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.907 0.384 . . . . 0.43 110.985 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.798 ' O ' HG23 ' B' ' 51' ' ' THR . 62.3 tttp -102.1 108.24 19.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.0 -0.546 . . . . 2.35 110.25 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.707 ' HB ' HG23 ' A' ' 16' ' ' THR . 49.9 t -95.65 131.95 41.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.017 0.437 . . . . 0.31 111.126 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.411 HG13 ' CG2' ' B' ' 51' ' ' THR . 73.6 mt -107.73 118.6 55.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.928 -0.578 . . . . 0.35 110.759 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.482 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 15.5 mt -96.93 82.29 3.22 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.964 -0.562 . . . . 0.33 109.491 179.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.642 ' O ' ' HA ' ' B' ' 55' ' ' THR . 34.4 t-20 -94.17 109.56 21.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.46 -0.791 . . . . 2.09 112.379 -178.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.03 -167.04 13.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.78 -0.724 . . . . 0.57 111.738 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -86.69 -58.12 2.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.045 0.45 . . . . 2.94 110.038 179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.478 ' HB ' HG11 ' B' ' 29' ' ' VAL . 7.5 p -94.57 -5.33 46.11 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.735 -0.666 . . . . 0.23 110.688 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.991 HD13 ' HB ' ' B' ' 18' ' ' THR . 22.8 tp -135.68 136.35 40.83 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.119 0.485 . . . . 0.14 111.506 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.469 ' H ' HD12 ' A' ' 12' ' ' LEU . 36.6 mtmm -145.36 145.11 31.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.589 -0.732 . . . . 2.46 110.406 179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.477 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -176.9 -172.35 41.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.213 -0.994 . . . . 0.15 113.383 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -142.01 138.65 32.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.807 0.337 . . . . 1.92 110.442 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.785 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -139.79 168.88 18.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.18 111.258 -179.323 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.511 HG22 ' HA ' ' A' ' 4' ' ' LYS . 60.1 p -143.61 120.02 10.96 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 112.847 0.684 . . . . 0.16 112.847 -179.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.996 ' HB ' HD13 ' B' ' 12' ' ' LEU . 15.3 t -108.94 147.18 32.63 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.856 -0.611 . . . . 0.15 109.44 178.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -108.73 119.17 38.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.516 0.198 . . . . 2.06 110.686 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.689 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -148.98 149.65 31.52 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.244 0.545 . . . . 0.26 111.87 -179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 t -50.4 -24.9 2.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.358 -0.837 . . . . 0.35 111.993 -178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.559 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -156.76 174.57 15.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.893 0.378 . . . . 1.3 111.42 179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.48 91.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.31 111.381 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 -54.97 31.03 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.942 -0.392 . . . . 0.35 109.942 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.867 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.7 p -50.34 -46.3 55.56 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.901 -0.778 . . . . 0.35 108.901 178.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.758 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -58.41 -53.54 57.15 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.702 -0.681 . . . . 0.26 109.204 178.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -51.98 -45.13 64.34 Favored 'General case' 0 N--CA 1.456 -0.138 0 CA-C-N 115.911 -0.586 . . . . 1.96 110.446 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -66.01 -49.45 67.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.865 -0.607 . . . . 1.98 110.301 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 25' ' ' THR . 81.9 t -54.01 -41.89 52.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.471 . . . . 0.4 109.913 179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 26' ' ' ALA . 57.3 t -63.16 -47.49 92.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.657 -0.702 . . . . 0.36 109.425 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -51.19 -43.17 61.3 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 116.323 -0.399 . . . . 2.12 110.493 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -61.14 -38.51 86.68 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.27 -0.641 . . . . 2.1 109.27 178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.858 ' CG ' HD23 ' B' ' 12' ' ' LEU . 37.8 t80 -54.12 -60.84 2.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.248 -0.887 . . . . 0.24 110.195 179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -69.06 -40.44 78.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.137 -0.938 . . . . 0.2 110.563 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -51.47 -38.23 52.83 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.543 0.687 . . . . 0.45 109.83 178.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.36 -23.91 17.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.8 -1.091 . . . . 1.18 112.453 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.456 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.9 m-20 -80.38 -46.63 15.71 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.418 -0.586 . . . . 0.2 109.418 178.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.66 -118.62 0.0 OUTLIER Glycine 0 C--N 1.333 0.366 0 CA-C-N 114.574 -1.193 . . . . 0.22 115.793 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.9 t -103.25 -2.06 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 114.911 1.449 . . . . 0.86 114.911 -175.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -126.01 17.0 7.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 119.313 0.96 . . . . 1.57 111.692 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.17 167.0 54.08 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.618 -0.801 . . . . 0.49 113.196 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -95.28 99.78 11.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.908 0.385 . . . . 2.19 110.397 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.488 ' CH2' HG12 ' B' ' 30' ' ' VAL . 7.6 m0 -99.25 120.72 40.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 0.65 112.24 -178.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.2 p -104.8 138.34 41.22 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.272 -0.64 . . . . 0.39 109.272 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -111.04 141.6 44.31 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.014 0.435 . . . . 0.47 112.036 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.46 81.99 1.96 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.687 -0.688 . . . . 1.24 110.327 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.89 -37.08 13.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 1.17 111.806 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.57 -30.58 8.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.446 -0.343 . . . . 0.56 111.908 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.1 p -128.09 14.21 6.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.717 -0.22 . . . . 0.63 111.508 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm 48.48 35.21 5.6 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.847 0.356 . . . . 2.35 110.375 -179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.791 HG23 ' O ' ' B' ' 4' ' ' LYS . 98.7 m -122.19 143.26 49.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.146 0.498 . . . . 0.36 112.023 -178.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.7 m-85 -108.77 142.45 39.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.442 -0.799 . . . . 0.55 109.654 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -120.84 101.99 8.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.259 0.552 . . . . 0.37 112.196 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.4 HG12 ' OD1' ' A' ' 37' ' ' ASN . 58.0 t -81.98 109.32 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.326 -0.852 . . . . 0.4 109.219 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.641 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 22.6 m -103.55 117.33 34.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.64 112.12 -178.243 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.279 -0.867 . . . . 2.34 110.931 179.654 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.422 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 27.8 ttt . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.835 0.35 . . . . 1.68 111.167 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.422 ' N ' ' HG2' ' B' ' 1' ' ' MET . 54.3 tt0 -104.98 140.24 38.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 1.79 110.365 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.401 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 6.5 m-85 -126.54 145.73 50.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.915 0.388 . . . . 0.43 110.98 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.791 ' O ' HG23 ' A' ' 51' ' ' THR . 62.3 tttp -102.01 108.16 19.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.016 -0.538 . . . . 2.35 110.319 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.704 ' HB ' HG23 ' B' ' 16' ' ' THR . 49.4 t -95.59 131.86 41.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.986 0.422 . . . . 0.31 111.157 -179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.415 HG13 ' CG2' ' A' ' 51' ' ' THR . 73.8 mt -107.68 118.57 55.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.965 -0.561 . . . . 0.35 110.859 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 15.5 mt -96.85 82.24 3.24 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.936 -0.575 . . . . 0.33 109.52 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.641 ' O ' ' HA ' ' A' ' 55' ' ' THR . 34.3 t-20 -94.12 109.55 21.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.485 -0.779 . . . . 2.09 112.362 -178.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.97 -166.96 13.65 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.724 . . . . 0.57 111.73 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -86.69 -58.16 2.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.065 0.459 . . . . 2.94 110.022 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.479 ' HB ' HG11 ' A' ' 29' ' ' VAL . 7.6 p -94.57 -5.4 45.97 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.679 -0.691 . . . . 0.23 110.716 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.996 HD13 ' HB ' ' A' ' 18' ' ' THR . 22.8 tp -135.67 136.28 40.8 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.099 0.476 . . . . 0.14 111.569 -179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.473 ' H ' HD12 ' B' ' 12' ' ' LEU . 36.6 mtmm -145.34 145.11 31.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.54 -0.754 . . . . 2.46 110.368 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -176.91 -172.34 41.42 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.101 -1.047 . . . . 0.15 113.362 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -142.03 138.71 31.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.803 0.335 . . . . 1.92 110.456 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.79 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -139.79 168.76 19.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.18 111.272 -179.18 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.509 HG22 ' HA ' ' B' ' 4' ' ' LYS . 60.0 p -143.6 120.08 11.01 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.857 0.688 . . . . 0.16 112.857 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.991 ' HB ' HD13 ' A' ' 12' ' ' LEU . 15.3 t -108.95 147.14 32.7 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.803 -0.635 . . . . 0.15 109.479 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -108.71 119.17 38.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.521 0.201 . . . . 2.06 110.664 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.687 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -148.98 149.62 31.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.188 0.518 . . . . 0.26 111.939 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 t -50.47 -24.88 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.379 -0.828 . . . . 0.35 111.954 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.563 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -156.72 174.7 15.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.879 0.371 . . . . 1.3 111.438 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.401 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -59.39 -42.42 91.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.31 111.371 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.77 -54.99 30.68 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.943 -0.391 . . . . 0.35 109.943 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.871 ' O ' HG23 ' B' ' 29' ' ' VAL . 51.4 p -50.34 -46.25 55.58 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.973 -0.751 . . . . 0.35 108.973 178.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.764 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -58.49 -53.48 57.83 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.685 -0.689 . . . . 0.26 109.204 178.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -52.09 -45.0 64.66 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.966 -0.561 . . . . 1.96 110.427 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -66.08 -49.44 67.58 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.927 -0.579 . . . . 1.98 110.251 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.871 HG23 ' O ' ' B' ' 25' ' ' THR . 84.3 t -54.09 -41.85 52.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-O 121.078 0.466 . . . . 0.4 109.888 179.11 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.764 HG23 ' O ' ' B' ' 26' ' ' ALA . 57.9 t -63.03 -47.59 91.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.722 -0.672 . . . . 0.36 109.481 178.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -51.14 -43.15 61.14 Favored 'General case' 0 CA--C 1.521 -0.139 0 CA-C-N 116.26 -0.427 . . . . 2.12 110.496 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -61.15 -38.5 86.66 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.346 -0.613 . . . . 2.1 109.346 178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.846 ' CG ' HD23 ' A' ' 12' ' ' LEU . 37.8 t80 -54.16 -60.88 2.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.218 -0.901 . . . . 0.24 110.166 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -68.94 -40.51 78.94 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.231 -0.895 . . . . 0.2 110.595 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -51.54 -38.18 52.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.452 0.644 . . . . 0.45 109.818 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.4 -23.84 17.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.823 -1.08 . . . . 1.18 112.414 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.457 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.0 m-20 -80.49 -46.49 15.79 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.414 -0.588 . . . . 0.2 109.414 178.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.74 -118.56 0.0 OUTLIER Glycine 0 C--N 1.332 0.353 0 CA-C-N 114.622 -1.172 . . . . 0.22 115.786 179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.602 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.9 t -103.25 -2.14 9.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 114.82 1.415 . . . . 0.86 114.82 -175.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -125.94 16.89 7.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 119.378 0.99 . . . . 1.57 111.685 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.16 167.04 54.11 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.577 -0.82 . . . . 0.49 113.145 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -95.34 99.83 11.7 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.939 0.399 . . . . 2.19 110.414 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.489 ' CH2' HG12 ' A' ' 30' ' ' VAL . 7.6 m0 -99.34 120.72 40.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.969 -0.559 . . . . 0.65 112.229 -178.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.0 p -104.81 138.44 41.07 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.271 -0.64 . . . . 0.39 109.271 178.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -111.12 141.66 44.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.037 0.446 . . . . 0.47 111.972 -178.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.49 81.9 1.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.724 -0.671 . . . . 1.24 110.299 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.88 -37.03 13.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.225 -0.443 . . . . 1.17 111.842 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.6 -30.55 8.97 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.931 0.345 . . . . 0.56 111.931 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.5 p -128.13 14.28 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.741 -0.209 . . . . 0.63 111.48 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm 48.41 35.15 5.4 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.825 0.345 . . . . 2.35 110.422 -179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 4' ' ' LYS . 98.8 m -122.16 143.24 49.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.147 0.499 . . . . 0.36 111.986 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.455 ' CD1' ' N ' ' B' ' 52' ' ' PHE . 1.7 m-85 -108.66 142.47 39.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.408 -0.815 . . . . 0.55 109.708 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -120.92 102.07 8.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.269 0.556 . . . . 0.37 112.159 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.4 t -82.02 109.35 16.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.23 -0.895 . . . . 0.4 109.179 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.642 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 22.6 m -103.61 117.34 34.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.24 -0.437 . . . . 0.64 112.14 -178.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.309 -0.853 . . . . 2.34 110.955 179.715 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.501 ' HE3' ' CZ ' ' A' ' 3' ' ' TYR . 35.7 ttp . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.913 0.387 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -96.93 131.18 43.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.227 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.501 ' CZ ' ' HE3' ' A' ' 1' ' ' MET . 51.4 m-85 -123.99 140.48 52.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.572 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.798 ' O ' HG23 ' B' ' 51' ' ' THR . 39.9 ttmt -105.4 112.28 25.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.819 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.632 ' HB ' HG23 ' A' ' 16' ' ' THR . 59.8 t -97.39 136.16 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.164 0.507 . . . . 0.0 110.462 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.436 HG13 ' CG2' ' B' ' 51' ' ' THR . 74.6 mt -109.91 125.34 67.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.751 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.452 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.1 mt -103.8 91.12 3.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.14 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.766 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.4 m120 -98.63 106.56 18.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.297 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.437 ' HA2' ' HG3' ' B' ' 56' ' ' GLU . . . -112.1 -171.03 18.58 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.334 -0.936 . . . . 0.0 112.122 179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -76.43 -56.08 4.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.991 0.424 . . . . 0.0 110.669 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.581 ' OG1' HG13 ' B' ' 29' ' ' VAL . 8.2 p -107.11 6.55 28.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.18 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.923 HD13 ' HB ' ' B' ' 18' ' ' THR . 24.9 tp -138.06 137.89 38.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.1 0.476 . . . . 0.0 111.28 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.474 ' H ' HD12 ' A' ' 12' ' ' LEU . 7.6 mtpm? -145.0 144.66 31.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.502 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.494 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -174.61 -177.03 43.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 119.984 -1.103 . . . . 0.0 113.266 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -137.94 139.12 39.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.819 0.342 . . . . 0.0 110.377 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.77 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -138.13 166.74 23.37 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.057 -179.592 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 4' ' ' LYS . 63.8 p -143.8 122.65 12.7 Favored 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.608 0.595 . . . . 0.0 112.608 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.941 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.4 t -106.9 140.77 39.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.23 179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -99.77 108.93 21.36 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.767 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -143.46 148.58 36.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.24 0.543 . . . . 0.0 111.82 -179.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.8 t -50.63 -26.11 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.02 -178.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.628 ' OD1' HG23 ' A' ' 25' ' ' THR . 59.0 p30 -158.29 175.91 13.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.913 0.387 . . . . 0.0 111.392 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.401 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -57.54 -42.29 82.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.595 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.83 -55.02 34.26 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.833 ' O ' HG23 ' A' ' 29' ' ' VAL . 41.6 p -52.01 -46.02 64.78 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.626 ' HB1' ' CG2' ' A' ' 18' ' ' THR . . . -59.71 -55.9 28.59 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' CG ' ' NZ ' ' A' ' 31' ' ' LYS . 88.8 tt0 -47.93 -49.21 30.91 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.658 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -60.44 -43.64 96.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.519 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 25' ' ' THR . 79.0 t -54.55 -40.54 50.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.512 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.645 HG12 ' CH2' ' B' ' 43' ' ' TRP . 29.4 t -62.46 -46.88 95.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 12.9 mptt -49.11 -50.55 36.64 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.167 178.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -63.81 -39.67 94.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.291 0.567 . . . . 0.0 109.493 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.89 ' CG ' HD23 ' B' ' 12' ' ' LEU . 52.9 t80 -54.0 -57.12 12.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.695 179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.459 ' HB3' ' HA2' ' B' ' 38' ' ' GLY . 25.8 m-85 -75.49 -39.05 59.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.491 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -50.39 -37.94 40.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.411 0.624 . . . . 0.0 109.982 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -94.4 -24.99 17.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.052 -0.977 . . . . 0.0 112.739 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.483 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 90.1 m-20 -78.61 -46.33 19.54 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -2.72 -120.06 0.0 OUTLIER Glycine 0 C--N 1.332 0.347 0 CA-C-N 114.566 -1.197 . . . . 0.0 115.775 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.6 t -82.66 -55.39 7.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 115.234 1.568 . . . . 0.0 115.234 -175.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -95.28 28.89 2.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 -177.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.32 145.4 47.43 Favored Glycine 0 CA--C 1.522 0.475 0 C-N-CA 119.995 -1.098 . . . . 0.0 112.287 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -75.03 95.99 3.12 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.54 0.21 . . . . 0.0 110.442 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.644 ' CH2' HG12 ' B' ' 30' ' ' VAL . 7.4 m0 -108.76 131.54 54.85 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.6 p -106.51 139.24 41.3 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 177.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -111.44 139.47 46.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.004 0.431 . . . . 0.0 111.869 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -123.64 82.02 1.97 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.194 179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.31 -36.33 20.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.39 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.82 -31.79 50.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.629 -179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.4 p -116.53 9.18 14.16 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.787 0.291 . . . . 0.0 111.787 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.45 ' CE ' ' CE2' ' B' ' 3' ' ' TYR . 10.2 mmmm 48.96 36.69 8.81 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.677 0.275 . . . . 0.0 110.645 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.797 HG23 ' O ' ' B' ' 4' ' ' LYS . 95.7 m -133.28 145.67 50.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.207 0.527 . . . . 0.0 111.811 -178.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.2 m-85 -110.05 145.27 37.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.295 178.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -122.39 101.83 7.73 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.241 0.543 . . . . 0.0 111.821 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.466 HG22 ' CD2' ' A' ' 43' ' ' TRP . 73.4 t -82.98 116.51 27.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.927 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.755 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 5.8 m -112.57 121.69 45.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.844 0.354 . . . . 0.0 110.947 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' HG3' ' HA2' ' B' ' 9' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.838 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.503 ' HE3' ' CZ ' ' B' ' 3' ' ' TYR . 35.7 ttp . . . . . 0 N--CA 1.484 1.26 0 CA-C-O 120.785 0.326 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -96.9 131.22 43.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.156 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.503 ' CZ ' ' HE3' ' B' ' 1' ' ' MET . 51.2 m-85 -123.99 140.57 52.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.491 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.797 ' O ' HG23 ' A' ' 51' ' ' THR . 40.0 ttmt -105.42 112.11 25.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.759 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.628 ' HB ' HG23 ' B' ' 16' ' ' THR . 59.9 t -97.3 136.19 28.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.071 0.462 . . . . 0.0 110.527 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.433 HG13 ' CG2' ' A' ' 51' ' ' THR . 75.0 mt -109.91 125.36 67.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.703 -179.639 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.448 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 8.9 mt -103.82 91.14 3.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.183 -179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.755 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.4 m120 -98.73 106.65 18.94 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.285 -178.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.425 ' HA2' ' HG3' ' A' ' 56' ' ' GLU . . . -112.24 -171.0 18.48 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.302 -0.952 . . . . 0.0 112.145 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -76.4 -56.19 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.018 0.437 . . . . 0.0 110.551 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.588 ' OG1' HG13 ' A' ' 29' ' ' VAL . 8.1 p -107.09 6.64 29.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.265 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.941 HD13 ' HB ' ' A' ' 18' ' ' THR . 24.8 tp -138.11 137.85 38.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.998 0.427 . . . . 0.0 111.261 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.473 ' H ' HD12 ' B' ' 12' ' ' LEU . 7.6 mtpm? -144.9 144.7 31.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.456 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.501 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -174.6 -176.92 43.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.088 -1.053 . . . . 0.0 113.304 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -138.02 139.16 39.47 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.883 0.373 . . . . 0.0 110.339 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.765 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -138.24 166.77 23.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.079 -179.653 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.484 HG22 ' HA ' ' B' ' 4' ' ' LYS . 64.0 p -143.76 122.64 12.72 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.923 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.5 t -106.84 140.85 39.01 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.324 178.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -99.75 108.94 21.39 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.761 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -143.44 148.68 36.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.138 0.494 . . . . 0.0 111.823 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 t -50.8 -26.07 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.921 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.635 ' OD1' HG23 ' B' ' 25' ' ' THR . 58.7 p30 -158.29 175.81 13.27 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.883 0.373 . . . . 0.0 111.376 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.45 -42.3 82.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.628 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.76 -55.2 32.67 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.829 ' O ' HG23 ' B' ' 29' ' ' VAL . 41.4 p -51.93 -46.0 64.51 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 178.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.628 ' HB1' ' CG2' ' B' ' 18' ' ' THR . . . -59.65 -56.01 27.3 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 177.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.408 ' CG ' ' HZ2' ' B' ' 31' ' ' LYS . 88.7 tt0 -47.87 -49.19 30.31 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.735 178.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -60.53 -43.56 97.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.57 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.829 HG23 ' O ' ' B' ' 25' ' ' THR . 79.6 t -54.58 -40.5 50.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.633 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.644 HG12 ' CH2' ' A' ' 43' ' ' TRP . 29.0 t -62.32 -47.11 94.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.564 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.408 ' HZ2' ' CG ' ' B' ' 27' ' ' GLU . 12.9 mptt -48.86 -50.58 34.08 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.318 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -63.89 -39.65 94.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.291 0.567 . . . . 0.0 109.499 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.89 ' CG ' HD23 ' A' ' 12' ' ' LEU . 52.4 t80 -54.01 -57.03 12.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.74 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.46 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 25.8 m-85 -75.68 -38.94 58.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.448 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -50.43 -38.03 41.16 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.384 0.611 . . . . 0.0 109.898 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -94.37 -24.93 17.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.788 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 90.0 m-20 -78.65 -46.43 19.2 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 178.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -2.65 -120.06 0.0 OUTLIER Glycine 0 C--N 1.333 0.385 0 CA-C-N 114.688 -1.142 . . . . 0.0 115.778 179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.65 -55.38 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 -175.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -95.3 28.84 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -177.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.37 145.42 47.39 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 119.895 -1.145 . . . . 0.0 112.376 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -74.99 95.93 3.09 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.74 0.305 . . . . 0.0 110.434 179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.645 ' CH2' HG12 ' A' ' 30' ' ' VAL . 7.4 m0 -108.73 131.5 54.88 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.5 p -106.43 139.25 41.2 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 177.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -111.52 139.47 46.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.998 0.428 . . . . 0.0 111.851 -178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -123.63 81.89 1.95 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.246 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.12 -36.46 19.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.879 0.371 . . . . 0.0 111.336 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -53.65 -31.87 49.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.674 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 63.5 p -116.46 9.01 14.2 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.452 ' CE ' ' CE2' ' A' ' 3' ' ' TYR . 10.2 mmmm 48.92 36.85 8.97 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.829 0.347 . . . . 0.0 110.685 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.798 HG23 ' O ' ' A' ' 4' ' ' LYS . 95.6 m -133.36 145.62 50.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.124 0.488 . . . . 0.0 111.856 -178.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' B' ' 52' ' ' PHE . 1.3 m-85 -110.07 145.31 37.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.266 178.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -122.35 101.86 7.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.236 0.541 . . . . 0.0 111.87 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.465 HG22 ' CD2' ' B' ' 43' ' ' TRP . 69.5 t -82.82 116.41 26.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.015 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.766 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 5.7 m -112.51 121.66 45.45 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.84 0.352 . . . . 0.0 111.011 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.437 ' HG3' ' HA2' ' A' ' 9' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.856 -179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' SD ' ' O ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.707 0.289 . . . . 0.0 110.365 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.4 ' O ' ' SD ' ' A' ' 1' ' ' MET . 8.3 tt0 -101.29 132.69 46.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.426 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.455 ' CE2' ' HE2' ' B' ' 50' ' ' LYS . 8.0 m-85 -115.36 145.9 42.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.01 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.786 ' O ' HG23 ' B' ' 51' ' ' THR . 87.1 tttt -98.63 107.86 20.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.788 ' HB ' HG23 ' A' ' 16' ' ' THR . 59.4 t -97.65 120.42 46.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.8 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' B' ' 53' ' ' THR . 65.3 mt -101.5 117.02 46.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.81 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.462 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.5 mt -97.72 87.2 3.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.624 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.5 t-20 -98.08 107.49 19.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.125 -177.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.4 -167.8 14.86 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.441 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.443 ' N ' ' HE2' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -77.89 -57.05 4.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.891 0.376 . . . . 0.0 110.822 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.523 ' OG1' HG13 ' B' ' 29' ' ' VAL . 7.1 p -106.01 5.55 30.45 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.248 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.988 HD13 ' HB ' ' B' ' 18' ' ' THR . 23.9 tp -136.86 136.99 39.22 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 121.112 0.482 . . . . 0.0 111.443 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.482 ' H ' HD12 ' A' ' 12' ' ' LEU . 1.8 mppt? -144.45 144.68 31.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.095 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.508 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -176.12 -172.42 40.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.053 -1.07 . . . . 0.0 113.416 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -142.84 134.91 27.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.941 0.401 . . . . 0.0 110.606 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.788 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -136.28 167.67 20.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.142 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.499 ' O ' HD12 ' B' ' 12' ' ' LEU . 61.8 p -143.44 122.27 12.69 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.988 ' HB ' HD13 ' B' ' 12' ' ' LEU . 14.1 t -110.52 147.4 34.21 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.782 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -109.22 120.7 43.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.603 0.239 . . . . 0.0 110.575 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.662 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -149.07 150.29 32.51 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.161 0.505 . . . . 0.0 111.992 -179.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 t -51.07 -27.11 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.811 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.501 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -154.82 176.28 12.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.884 0.373 . . . . 0.0 111.355 179.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.408 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -60.23 -43.14 96.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.494 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.61 -56.36 20.73 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.881 ' O ' HG23 ' A' ' 29' ' ' VAL . 56.0 p -50.15 -46.01 53.7 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.45 -53.72 54.87 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 177.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.436 ' OE1' ' CE3' ' B' ' 43' ' ' TRP . 4.8 tp10 -49.91 -47.83 51.99 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.483 178.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -62.84 -45.03 94.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.278 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 25' ' ' THR . 87.3 t -55.33 -42.43 66.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.262 179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.618 HG12 ' CH2' ' B' ' 43' ' ' TRP . 60.8 t -64.68 -48.36 85.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 57.6 mttp -53.38 -44.15 68.4 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.676 179.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -62.21 -39.1 91.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.47 0.652 . . . . 0.0 109.281 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.915 ' CG ' HD23 ' B' ' 12' ' ' LEU . 56.6 t80 -52.74 -63.31 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.007 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -66.88 -38.12 85.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.625 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.459 ' ND2' HG21 ' B' ' 39' ' ' VAL . 27.4 t-20 -52.41 -38.4 58.96 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.443 0.639 . . . . 0.0 109.919 178.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -93.95 -23.75 17.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.057 -0.974 . . . . 0.0 112.175 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.501 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.5 m-20 -81.59 -46.47 14.37 Favored 'General case' 0 N--CA 1.462 0.155 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.254 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.55 -113.97 0.0 OUTLIER Glycine 0 CA--C 1.521 0.466 0 CA-C-N 115.011 -0.995 . . . . 0.0 115.358 179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.652 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.5 t -111.09 5.27 8.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -176.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -125.38 10.93 8.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.664 -0.648 . . . . 0.0 112.089 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.51 170.61 53.53 Favored Glycine 0 CA--C 1.521 0.424 0 C-N-CA 120.577 -0.821 . . . . 0.0 113.425 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -97.65 104.26 16.27 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.616 ' CH2' HG12 ' B' ' 30' ' ' VAL . 9.4 m0 -102.62 123.79 46.99 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.8 p -108.58 138.03 45.56 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 177.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 18.3 t80 -114.09 144.55 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.078 0.466 . . . . 0.0 111.973 -178.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.71 83.62 2.16 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.198 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.3 -36.61 21.46 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.629 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.95 -29.26 8.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.838 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.1 p -128.16 12.05 6.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.627 -0.26 . . . . 0.0 111.611 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.459 ' HE2' ' CE2' ' B' ' 3' ' ' TYR . 14.2 mmmm 49.31 33.05 4.87 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.843 0.354 . . . . 0.0 110.215 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.788 HG23 ' O ' ' B' ' 4' ' ' LYS . 94.2 m -117.8 144.14 45.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.381 -178.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.508 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.1 m-85 -115.65 141.85 47.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.407 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -118.84 123.64 45.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.108 0.48 . . . . 0.0 111.181 179.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.9 t -102.77 107.15 21.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.897 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.623 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 17.0 m -99.68 113.19 25.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.932 0.396 . . . . 0.0 111.446 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.828 -179.864 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' B' ' 2' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.649 0.261 . . . . 0.0 110.4 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.402 ' O ' ' SD ' ' B' ' 1' ' ' MET . 8.3 tt0 -101.27 132.71 46.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.539 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.459 ' CE2' ' HE2' ' A' ' 50' ' ' LYS . 8.2 m-85 -115.45 145.93 42.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.97 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.788 ' O ' HG23 ' A' ' 51' ' ' THR . 87.1 tttt -98.62 107.9 20.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.795 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.793 ' HB ' HG23 ' B' ' 16' ' ' THR . 59.7 t -97.7 120.41 46.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.052 0.453 . . . . 0.0 110.757 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 53' ' ' THR . 65.7 mt -101.34 116.97 45.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.884 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mt -97.74 87.25 3.99 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.623 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.4 t-20 -97.99 107.48 19.97 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.203 -178.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.39 -167.8 14.87 Favored Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.371 179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.442 ' N ' ' HE2' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -77.9 -57.05 4.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.928 0.394 . . . . 0.0 110.855 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.521 ' OG1' HG13 ' A' ' 29' ' ' VAL . 7.0 p -105.95 5.39 30.44 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.199 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.988 HD13 ' HB ' ' A' ' 18' ' ' THR . 23.9 tp -136.9 136.94 39.1 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.181 0.515 . . . . 0.0 111.485 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.484 ' H ' HD12 ' B' ' 12' ' ' LEU . 1.9 mppt? -144.35 144.66 31.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.094 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -176.1 -172.31 40.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 119.99 -1.1 . . . . 0.0 113.349 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -142.85 134.91 27.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.653 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.793 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -136.35 167.66 20.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.12 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.504 ' O ' HD12 ' A' ' 12' ' ' LEU . 60.7 p -143.46 122.4 12.77 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -178.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.988 ' HB ' HD13 ' A' ' 12' ' ' LEU . 14.0 t -110.49 147.45 34.07 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.819 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -109.25 120.67 43.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.607 0.242 . . . . 0.0 110.582 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.662 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -148.98 150.41 32.81 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.215 0.531 . . . . 0.0 111.979 -179.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 24.3 t -51.1 -27.06 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.551 -0.749 . . . . 0.0 111.863 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.499 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -154.88 176.34 12.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 111.361 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.41 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.35 -43.06 96.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.433 -179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.65 -56.36 20.58 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.879 ' O ' HG23 ' B' ' 29' ' ' VAL . 56.5 p -50.23 -45.91 54.34 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 178.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -59.59 -53.67 55.4 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 177.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.438 ' OE1' ' CE3' ' A' ' 43' ' ' TRP . 4.8 tp10 -49.9 -47.95 51.87 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.488 178.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -62.59 -45.25 93.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.196 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.879 HG23 ' O ' ' B' ' 25' ' ' THR . 87.7 t -55.23 -42.4 65.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.313 179.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.616 HG12 ' CH2' ' A' ' 43' ' ' TRP . 60.7 t -64.69 -48.44 84.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.302 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 57.5 mttp -53.41 -44.18 68.52 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.619 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -62.2 -39.17 91.85 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.916 ' CG ' HD23 ' A' ' 12' ' ' LEU . 56.4 t80 -52.66 -63.29 1.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.139 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -66.82 -38.03 85.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.719 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.46 ' ND2' HG21 ' A' ' 39' ' ' VAL . 27.5 t-20 -52.56 -38.38 59.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.415 0.626 . . . . 0.0 109.91 178.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.9 -23.73 17.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.241 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.5 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.6 m-20 -81.51 -46.49 14.43 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 120.961 0.41 . . . . 0.0 110.299 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.67 -113.78 0.0 OUTLIER Glycine 0 CA--C 1.521 0.454 0 CA-C-N 115.03 -0.986 . . . . 0.0 115.34 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.64 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.5 t -111.15 5.15 8.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 -176.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -125.3 10.85 8.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 121.681 -0.637 . . . . 0.0 112.037 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.27 170.51 53.64 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.486 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 8.5 mp0 -97.61 104.27 16.28 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.618 ' CH2' HG12 ' A' ' 30' ' ' VAL . 9.4 m0 -102.77 123.88 47.27 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.756 0.651 . . . . 0.0 112.756 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 75.3 p -108.58 137.91 45.76 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 177.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 18.5 t80 -113.96 144.51 42.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.039 0.447 . . . . 0.0 112.117 -178.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -123.68 83.71 2.17 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.212 179.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.4 -36.69 22.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.497 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.89 -29.29 7.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.908 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 82.5 p -128.16 12.14 6.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.563 -0.289 . . . . 0.0 111.568 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.455 ' HE2' ' CE2' ' A' ' 3' ' ' TYR . 14.2 mmmm 49.25 33.12 4.83 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 120.852 0.358 . . . . 0.0 110.274 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.786 HG23 ' O ' ' A' ' 4' ' ' LYS . 94.6 m -117.89 144.16 45.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.3 -178.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.507 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 2.1 m-85 -115.59 141.83 47.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.465 179.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -118.68 123.63 45.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.06 0.457 . . . . 0.0 111.188 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.5 t -102.73 107.06 21.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.963 179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.624 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 17.1 m -99.58 113.21 25.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.922 0.391 . . . . 0.0 111.402 -179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.914 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.8 ttp . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.715 0.293 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -101.92 140.93 35.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.461 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.434 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 5.5 m-85 -125.5 146.07 49.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.51 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.795 ' O ' HG23 ' B' ' 51' ' ' THR . 48.2 tttm -106.85 108.23 19.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.391 -179.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.883 HG21 HG21 ' A' ' 30' ' ' VAL . 57.9 t -94.66 116.78 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.423 0.63 . . . . 0.0 111.197 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.817 HG22 ' OD1' ' A' ' 8' ' ' ASN . 87.9 mt -94.88 131.78 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.809 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.414 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.8 mt -112.43 105.87 14.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.728 -179.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.817 ' OD1' HG22 ' A' ' 6' ' ' ILE . 5.4 m120 -110.98 109.95 20.3 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.402 ' HA2' ' CB ' ' B' ' 56' ' ' GLU . . . -115.43 -168.27 15.45 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.414 179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -76.36 -55.72 5.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.914 0.388 . . . . 0.0 110.763 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.615 ' OG1' HG13 ' B' ' 29' ' ' VAL . 7.0 p -108.32 7.44 27.21 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.27 -179.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.976 HD13 ' HB ' ' B' ' 18' ' ' THR . 27.4 tp -139.05 138.07 36.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.158 0.504 . . . . 0.0 111.617 -179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.461 ' H ' HD12 ' A' ' 12' ' ' LEU . 7.2 mptt -144.86 145.98 31.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.248 179.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.58 -167.68 37.73 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.213 -0.994 . . . . 0.0 112.91 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' HB3' ' NZ ' ' A' ' 4' ' ' LYS . 38.7 mt-10 -150.33 146.4 26.72 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.931 0.396 . . . . 0.0 110.593 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.672 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -141.99 169.89 16.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.964 -179.02 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.468 ' O ' HD12 ' B' ' 12' ' ' LEU . 47.0 p -141.66 119.91 12.22 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.121 0.786 . . . . 0.0 113.121 -178.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.99 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.5 t -106.9 142.68 36.15 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.998 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -102.05 112.22 24.79 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.625 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -146.02 149.97 35.13 Favored 'General case' 0 CA--C 1.529 0.136 0 CA-C-O 121.427 0.632 . . . . 0.0 112.023 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.99 -27.23 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.125 -178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.523 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -155.26 176.91 11.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.856 0.36 . . . . 0.0 111.586 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.434 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -60.95 -42.96 99.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.314 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.91 -54.58 40.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.86 ' O ' HG23 ' A' ' 29' ' ' VAL . 60.8 p -52.22 -45.98 65.48 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.479 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.91 -54.85 41.27 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 177.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' OE2' ' HG3' ' A' ' 31' ' ' LYS . 3.7 tm-20 -48.29 -49.34 34.15 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.472 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.45 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 4.3 mmmp? -62.31 -43.57 98.52 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.2 179.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 25' ' ' THR . 88.5 t -55.51 -39.59 54.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.134 0.492 . . . . 0.0 109.855 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.883 HG21 HG21 ' A' ' 5' ' ' VAL . 61.0 t -65.89 -49.14 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.436 178.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HG3' ' OE2' ' A' ' 27' ' ' GLU . 86.0 mttt -52.37 -43.88 64.94 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.805 178.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -63.82 -38.61 91.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.91 ' CG ' HD23 ' B' ' 12' ' ' LEU . 49.7 t80 -53.56 -61.27 2.41 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.158 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -68.52 -39.35 81.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.96 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.459 ' ND2' HG21 ' B' ' 39' ' ' VAL . 25.7 t-20 -50.86 -38.81 51.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.383 0.611 . . . . 0.0 110.098 178.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -94.49 -23.53 17.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.021 -0.99 . . . . 0.0 112.44 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.471 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.5 m-20 -79.72 -46.28 17.36 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.561 -0.456 . . . . 0.0 109.808 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.06 -116.32 0.0 OUTLIER Glycine 0 C--N 1.333 0.383 0 CA-C-N 114.924 -1.034 . . . . 0.0 115.455 179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.7 t -109.56 3.77 9.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 114.204 1.187 . . . . 0.0 114.204 -176.249 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.7 12.68 7.98 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 118.605 0.639 . . . . 0.0 111.955 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.12 169.5 54.03 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.57 -0.824 . . . . 0.0 113.334 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -93.36 99.59 12.08 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 120.834 0.35 . . . . 0.0 110.198 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.585 ' CH2' HG12 ' B' ' 30' ' ' VAL . 11.9 m0 -99.67 121.33 41.07 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -178.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 66.8 p -110.13 137.68 47.54 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.503 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 7.6 t80 -112.64 144.17 42.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 111.727 -178.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.621 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.5 t0 -123.53 83.21 2.1 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.653 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 15.8 m-20 -46.8 -35.07 5.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.581 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.621 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.94 -31.92 13.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.1 p -128.15 14.5 6.75 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm 48.56 36.29 7.29 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.915 0.388 . . . . 0.0 110.623 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.794 HG23 ' O ' ' B' ' 4' ' ' LYS . 94.5 m -124.05 140.57 52.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.406 -178.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 28.0 m-85 -108.23 142.09 39.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.536 179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.494 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -117.22 122.98 45.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.139 0.495 . . . . 0.0 111.338 179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.444 HG12 ' OD1' ' A' ' 37' ' ' ASN . 59.9 t -99.33 94.81 3.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.618 178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 9.6 m -85.75 108.31 18.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.082 0.468 . . . . 0.0 111.581 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.4 ' CB ' ' HA2' ' B' ' 9' ' ' GLY . 5.2 tp10 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.187 -0.911 . . . . 0.0 111.232 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttp . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.752 0.311 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -101.87 141.01 35.39 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.391 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.426 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 5.2 m-85 -125.61 146.13 49.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.539 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.794 ' O ' HG23 ' A' ' 51' ' ' THR . 48.2 tttm -106.94 108.17 19.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.305 -179.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.866 HG21 HG21 ' B' ' 30' ' ' VAL . 57.6 t -94.62 116.93 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.335 0.588 . . . . 0.0 111.261 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.81 HG22 ' OD1' ' B' ' 8' ' ' ASN . 87.6 mt -95.05 131.8 40.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.756 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.9 mt -112.42 105.78 14.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.733 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.81 ' OD1' HG22 ' B' ' 6' ' ' ILE . 5.4 m120 -110.99 109.87 20.19 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.4 ' HA2' ' CB ' ' A' ' 56' ' ' GLU . . . -115.37 -168.22 15.46 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.489 179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -76.36 -55.78 5.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 0.0 110.691 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.61 ' OG1' HG13 ' A' ' 29' ' ' VAL . 7.2 p -108.23 7.31 27.33 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.291 -179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.99 HD13 ' HB ' ' A' ' 18' ' ' THR . 27.5 tp -138.94 138.19 37.11 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 121.111 0.481 . . . . 0.0 111.719 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.461 ' H ' HD12 ' B' ' 12' ' ' LEU . 7.2 mptt -144.96 145.79 31.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.25 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.48 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.64 -167.64 37.64 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.298 -0.954 . . . . 0.0 112.965 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.435 ' HB3' ' NZ ' ' B' ' 4' ' ' LYS . 38.9 mt-10 -150.33 146.47 26.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.969 0.414 . . . . 0.0 110.568 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.665 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -142.07 169.85 16.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.005 -178.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.471 ' O ' HD12 ' A' ' 12' ' ' LEU . 48.9 p -141.63 119.97 12.28 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -178.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.976 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.5 t -106.93 142.55 36.37 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.06 178.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -101.96 112.34 24.93 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.625 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -145.95 149.99 35.23 Favored 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 121.259 0.552 . . . . 0.0 112.061 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -51.07 -27.1 5.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.241 -0.89 . . . . 0.0 112.111 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.522 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -155.38 176.87 12.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.885 0.374 . . . . 0.0 111.481 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.426 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.88 -42.91 98.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.379 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.96 -54.68 38.41 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.862 ' O ' HG23 ' B' ' 29' ' ' VAL . 61.8 p -52.22 -45.88 65.44 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.473 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.06 -54.75 42.24 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.434 ' OE2' ' HG3' ' B' ' 31' ' ' LYS . 3.7 tm-20 -48.31 -49.34 34.37 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.427 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.452 ' NZ ' ' HB3' ' B' ' 28' ' ' LYS . 4.2 mmmp? -62.33 -43.66 98.31 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.122 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.862 HG23 ' O ' ' B' ' 25' ' ' THR . 87.4 t -55.49 -39.59 54.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.117 0.484 . . . . 0.0 109.844 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.866 HG21 HG21 ' B' ' 5' ' ' VAL . 59.3 t -65.77 -49.26 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.475 178.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.434 ' HG3' ' OE2' ' B' ' 27' ' ' GLU . 86.0 mttt -52.23 -44.03 64.62 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.745 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -63.79 -38.55 91.51 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.908 ' CG ' HD23 ' A' ' 12' ' ' LEU . 50.1 t80 -53.57 -61.19 2.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 114.955 -1.021 . . . . 0.0 110.188 179.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -68.7 -39.25 80.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.946 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.464 ' ND2' HG21 ' A' ' 39' ' ' VAL . 25.7 t-20 -50.81 -39.0 51.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.313 0.578 . . . . 0.0 110.058 178.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -94.28 -23.56 17.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.435 -179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.473 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.5 m-20 -79.77 -46.26 17.32 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.13 -116.3 0.0 OUTLIER Glycine 0 CA--C 1.52 0.392 0 CA-C-N 114.926 -1.034 . . . . 0.0 115.457 179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.627 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.7 t -109.49 3.58 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 -176.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.5 12.61 8.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 118.54 0.609 . . . . 0.0 111.95 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.1 169.39 53.99 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 120.577 -0.82 . . . . 0.0 113.323 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -93.34 99.44 11.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 110.111 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.584 ' CH2' HG12 ' A' ' 30' ' ' VAL . 11.9 m0 -99.48 121.35 41.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -178.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.444 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 68.0 p -110.05 137.72 47.43 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 7.5 t80 -112.74 144.16 42.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.969 0.414 . . . . 0.0 111.67 -178.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.622 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.5 t0 -123.48 83.27 2.11 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.627 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.433 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 15.7 m-20 -46.71 -35.14 5.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.564 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.622 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.96 -31.86 13.58 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.9 p -128.11 14.44 6.76 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 46.8 mmtm 48.5 36.36 7.27 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.876 0.37 . . . . 0.0 110.592 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.795 HG23 ' O ' ' A' ' 4' ' ' LYS . 93.7 m -124.02 140.48 52.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.517 -178.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.499 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 27.8 m-85 -108.22 142.08 39.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.509 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -117.16 123.15 46.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.107 0.48 . . . . 0.0 111.314 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.446 HG12 ' OD1' ' B' ' 37' ' ' ASN . 59.9 t -99.46 94.81 3.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.575 178.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.542 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 9.5 m -85.74 108.23 17.97 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.592 -178.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.402 ' CB ' ' HA2' ' A' ' 9' ' ' GLY . 5.2 tp10 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.226 -0.893 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.47 ' HE2' ' HE3' ' B' ' 50' ' ' LYS . 18.1 ttt . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.711 0.291 . . . . 0.0 110.437 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -112.07 148.68 33.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.962 0.41 . . . . 0.0 111.229 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.459 ' CE2' ' HE3' ' B' ' 50' ' ' LYS . 7.2 m-85 -130.95 149.56 52.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.67 179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.767 ' O ' HG23 ' B' ' 51' ' ' THR . 17.5 tppt? -98.83 108.52 21.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.992 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.652 ' HB ' HG23 ' A' ' 16' ' ' THR . 60.9 t -96.15 128.03 47.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.905 0.384 . . . . 0.0 110.383 179.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.485 ' CD1' HG21 ' B' ' 51' ' ' THR . 71.8 mt -108.69 127.66 65.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.328 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.415 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.5 mt -107.44 95.55 5.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.284 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.764 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.3 m120 -103.24 107.95 18.97 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.194 -179.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.82 -169.54 16.89 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.417 -0.897 . . . . 0.0 112.281 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -78.01 -57.4 3.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.038 0.447 . . . . 0.0 110.573 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.472 ' OG1' HG13 ' B' ' 29' ' ' VAL . 4.0 p -104.53 4.33 32.89 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.198 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.963 HD13 ' HB ' ' B' ' 18' ' ' THR . 24.0 tp -137.22 137.14 38.79 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 120.992 0.425 . . . . 0.0 111.199 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' H ' HD12 ' A' ' 12' ' ' LEU . 35.8 mtmm -145.19 146.0 31.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.455 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.51 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.87 -169.06 39.75 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.075 -1.059 . . . . 0.0 113.21 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -143.52 153.37 42.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.86 0.362 . . . . 0.0 110.739 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.747 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -150.95 168.79 23.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.034 -179.601 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.481 ' O ' HD12 ' B' ' 12' ' ' LEU . 74.5 p -143.26 121.19 12.02 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -178.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.972 ' HB ' HD13 ' B' ' 12' ' ' LEU . 14.2 t -107.79 142.65 37.5 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.94 178.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -103.18 115.75 31.18 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.7 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -148.84 151.27 34.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.261 0.553 . . . . 0.0 111.93 -179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.1 t -50.63 -25.44 3.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.946 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.659 ' OD1' HG23 ' A' ' 25' ' ' THR . 57.5 p30 -158.71 175.68 13.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.791 0.329 . . . . 0.0 111.505 179.161 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.36 -43.0 83.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.754 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.04 -56.13 22.16 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.883 ' O ' HG23 ' A' ' 29' ' ' VAL . 50.2 p -51.07 -45.77 61.52 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 178.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.9 -52.74 64.11 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.494 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 44.7 tt0 -52.78 -49.24 65.96 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.785 179.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -59.43 -43.0 93.19 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.693 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 25' ' ' THR . 98.2 t -56.37 -38.86 57.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.112 179.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.656 HG12 ' CH2' ' B' ' 43' ' ' TRP . 38.5 t -65.17 -48.44 83.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.693 179.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.494 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 1.1 mptm? -50.16 -44.79 52.86 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-O 120.746 0.308 . . . . 0.0 110.401 178.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -66.44 -39.38 88.85 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.913 ' CG ' HD23 ' B' ' 12' ' ' LEU . 66.3 t80 -53.45 -59.59 4.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.482 179.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.439 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 28.8 m-85 -71.23 -39.17 71.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.225 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -51.0 -38.54 51.85 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.432 0.634 . . . . 0.0 109.799 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.31 -25.7 16.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.079 -0.964 . . . . 0.0 112.815 -179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.499 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.6 m-20 -78.74 -45.56 20.89 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -3.67 -117.18 0.0 OUTLIER Glycine 0 CA--C 1.521 0.409 0 CA-C-N 114.575 -1.193 . . . . 0.0 115.719 179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.1 t -83.77 -55.51 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 115.332 1.605 . . . . 0.0 115.332 -175.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -91.55 27.24 2.05 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -177.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.69 144.08 46.4 Favored Glycine 0 CA--C 1.52 0.402 0 C-N-CA 119.997 -1.097 . . . . 0.0 112.325 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -73.7 91.74 1.92 Allowed 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.704 ' CD1' HG13 ' A' ' 54' ' ' VAL . 11.8 m0 -106.12 132.21 52.46 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.436 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 70.4 p -112.56 141.97 45.69 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.436 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 6.1 t80 -111.1 142.0 43.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.987 0.422 . . . . 0.0 111.544 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.475 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.3 t0 -123.32 83.21 2.1 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.608 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.42 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 14.0 m-20 -48.22 -37.14 15.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.352 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.475 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.49 -32.26 17.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.952 -179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.3 p -122.7 12.41 9.89 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HE3' ' HE2' ' B' ' 1' ' ' MET . 7.2 mmmm 49.76 34.94 8.13 Favored 'General case' 0 N--CA 1.463 0.197 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.707 179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.763 HG23 ' O ' ' B' ' 4' ' ' LYS . 94.9 m -125.73 144.11 50.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.111 0.482 . . . . 0.0 111.953 -178.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.9 m-85 -110.37 144.52 39.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.502 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.436 ' HG1' ' HG1' ' A' ' 44' ' ' THR . 2.9 p -122.14 124.45 43.9 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.343 0.592 . . . . 0.0 111.871 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.704 HG13 ' CD1' ' A' ' 43' ' ' TRP . 61.5 t -104.59 113.05 40.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.72 178.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.755 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 3.2 m -108.61 119.39 39.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.097 0.475 . . . . 0.0 111.512 -178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.994 -179.936 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.475 ' HE2' ' HE3' ' A' ' 50' ' ' LYS . 18.1 ttt . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 120.649 0.261 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -111.97 148.71 33.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.984 0.421 . . . . 0.0 111.251 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.465 ' CE2' ' HE3' ' A' ' 50' ' ' LYS . 7.0 m-85 -131.03 149.67 52.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.723 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.763 ' O ' HG23 ' A' ' 51' ' ' THR . 17.5 tppt? -99.0 108.59 21.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.662 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.3 t -96.31 128.07 47.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.987 0.423 . . . . 0.0 110.257 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.485 ' CD1' HG21 ' A' ' 51' ' ' THR . 72.0 mt -108.8 127.64 65.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.264 -179.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.5 mt -107.46 95.47 5.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.254 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.755 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.3 m120 -103.17 107.98 19.0 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 112.201 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.86 -169.5 16.85 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.335 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -78.07 -57.35 3.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.966 0.412 . . . . 0.0 110.582 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.477 ' OG1' HG13 ' A' ' 29' ' ' VAL . 4.0 p -104.58 4.37 32.79 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.242 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.972 HD13 ' HB ' ' A' ' 18' ' ' THR . 24.0 tp -137.28 137.16 38.7 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.126 0.489 . . . . 0.0 111.17 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.458 ' H ' HD12 ' B' ' 12' ' ' LEU . 35.8 mtmm -145.2 145.92 31.52 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.49 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.78 -169.04 39.77 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.082 -1.056 . . . . 0.0 113.26 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -143.56 153.3 42.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 110.606 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.746 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -150.88 168.87 23.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.126 -179.69 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.475 ' O ' HD12 ' A' ' 12' ' ' LEU . 75.6 p -143.35 121.14 11.92 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -178.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.963 ' HB ' HD13 ' A' ' 12' ' ' LEU . 14.3 t -107.8 142.64 37.52 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.879 178.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -103.17 115.79 31.25 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.697 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -148.85 151.19 34.3 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 121.177 0.513 . . . . 0.0 112.028 -179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 30.8 t -50.59 -25.52 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.996 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.658 ' OD1' HG23 ' B' ' 25' ' ' THR . 57.6 p30 -158.64 175.7 13.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.815 0.34 . . . . 0.0 111.481 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.34 -42.9 82.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.823 -179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 -56.09 22.13 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.883 ' O ' HG23 ' B' ' 29' ' ' VAL . 51.1 p -50.96 -45.95 60.95 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.582 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.74 -52.82 63.84 Favored 'General case' 0 N--CA 1.452 -0.345 0 N-CA-C 109.065 -0.716 . . . . 0.0 109.065 178.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.498 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 44.7 tt0 -52.64 -49.34 65.37 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.783 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -59.53 -42.92 93.4 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.625 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.883 HG23 ' O ' ' B' ' 25' ' ' THR . 98.0 t -56.42 -38.87 57.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.138 179.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.655 HG12 ' CH2' ' A' ' 43' ' ' TRP . 38.4 t -65.2 -48.35 83.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.688 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.498 ' HD3' ' O ' ' B' ' 27' ' ' GLU . 1.1 mptm? -50.19 -44.8 53.16 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.844 0.354 . . . . 0.0 110.445 178.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -66.45 -39.3 88.79 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.902 ' CG ' HD23 ' A' ' 12' ' ' LEU . 66.1 t80 -53.49 -59.56 4.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.501 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.44 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 28.7 m-85 -71.3 -39.11 71.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.207 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -50.89 -38.61 50.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.387 0.613 . . . . 0.0 109.896 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.28 -25.67 16.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.061 -0.972 . . . . 0.0 112.825 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.499 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.7 m-20 -78.87 -45.26 21.06 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.46 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -3.78 -117.27 0.0 OUTLIER Glycine 0 C--N 1.333 0.404 0 CA-C-N 114.624 -1.171 . . . . 0.0 115.746 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 88.2 t -83.57 -55.6 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 115.381 1.623 . . . . 0.0 115.381 -175.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -91.62 27.22 2.08 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -177.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.54 144.11 46.68 Favored Glycine 0 CA--C 1.52 0.403 0 C-N-CA 120.032 -1.08 . . . . 0.0 112.374 179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -73.86 91.68 1.99 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.702 ' CD1' HG13 ' B' ' 54' ' ' VAL . 11.9 m0 -106.06 132.21 52.42 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.469 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 72.2 p -112.53 141.85 45.8 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.433 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 6.1 t80 -110.89 142.01 43.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.847 0.356 . . . . 0.0 111.661 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.476 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.3 t0 -123.36 83.18 2.09 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.661 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.423 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 14.2 m-20 -48.3 -37.02 15.37 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.3 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.476 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.58 -32.22 18.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.008 -179.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.5 p -122.68 12.44 9.91 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.47 ' HE3' ' HE2' ' A' ' 1' ' ' MET . 7.2 mmmm 49.87 34.86 8.32 Favored 'General case' 0 N--CA 1.462 0.163 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.744 179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.767 HG23 ' O ' ' A' ' 4' ' ' LYS . 94.2 m -125.69 143.94 50.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.119 0.485 . . . . 0.0 111.927 -178.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' B' ' 52' ' ' PHE . 1.9 m-85 -110.26 144.44 38.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.638 178.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.469 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 2.9 p -122.11 124.58 44.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.358 0.599 . . . . 0.0 111.723 179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.702 HG13 ' CD1' ' B' ' 43' ' ' TRP . 61.1 t -104.6 113.2 40.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.666 178.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.764 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 3.2 m -108.67 119.39 39.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.033 0.444 . . . . 0.0 111.52 -178.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.246 -0.883 . . . . 0.0 111.025 -179.844 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.8 mtp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.938 0.399 . . . . 0.0 111.716 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -102.45 140.42 36.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.341 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -124.51 146.38 49.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.127 0.489 . . . . 0.0 111.735 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.627 ' O ' HG23 ' B' ' 51' ' ' THR . 17.6 tppt? -98.95 104.87 16.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.565 179.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.65 HG11 HG11 ' A' ' 30' ' ' VAL . 73.8 t -94.54 112.12 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.448 0.642 . . . . 0.0 110.749 -179.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.838 HG22 ' OD1' ' A' ' 8' ' ' ASN . 68.1 mt -94.83 128.77 45.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.615 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.468 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 15.2 mt -110.02 105.31 14.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.126 -179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.838 ' OD1' HG22 ' A' ' 6' ' ' ILE . 5.3 m120 -109.27 108.77 19.49 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 112.331 0.493 . . . . 0.0 112.331 -178.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.413 ' HA2' ' HG2' ' B' ' 56' ' ' GLU . . . -113.42 -171.26 17.76 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.816 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -77.18 -52.47 9.19 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.959 0.409 . . . . 0.0 110.308 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.48 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 7.8 p -108.12 5.24 25.76 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.453 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.974 HD13 ' HB ' ' B' ' 18' ' ' THR . 24.3 tp -137.41 138.33 39.73 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.093 0.473 . . . . 0.0 111.625 -179.32 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.484 ' H ' HD12 ' A' ' 12' ' ' LEU . 1.9 mppt? -143.9 143.16 31.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.922 179.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.67 -176.73 44.15 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 119.989 -1.1 . . . . 0.0 113.586 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -139.23 137.1 35.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.826 0.346 . . . . 0.0 110.131 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.726 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -137.12 167.64 21.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.47 HG22 ' HA ' ' A' ' 4' ' ' LYS . 73.2 p -143.69 119.85 10.79 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -178.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.982 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.6 t -107.65 145.24 33.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.529 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -105.86 116.72 32.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.659 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.08 152.29 35.93 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.312 0.577 . . . . 0.0 111.887 -179.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.2 t -51.22 -37.78 18.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.018 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.451 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 5.8 p-10 -144.35 170.52 15.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.838 0.351 . . . . 0.0 111.594 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.3 -42.05 85.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.126 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.14 -55.95 20.89 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.838 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.0 p -52.82 -43.93 66.32 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.276 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.697 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.87 -52.46 64.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -50.49 -47.69 57.11 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.347 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -62.76 -45.65 91.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.069 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 25' ' ' THR . 87.3 t -58.41 -39.77 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.03 179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.732 ' CG2' HG21 ' A' ' 18' ' ' THR . 45.6 t -68.18 -50.0 62.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 29.2 mtpp -51.45 -43.19 62.01 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 178.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.53 -36.6 76.44 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.928 ' CG ' HD23 ' B' ' 12' ' ' LEU . 49.9 t80 -53.82 -63.43 1.15 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.115 179.177 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -67.71 -39.73 84.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.702 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.446 ' ND2' HG22 ' B' ' 39' ' ' VAL . 34.6 t-20 -49.79 -39.2 37.33 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.539 0.685 . . . . 0.0 109.663 178.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -94.62 -24.14 17.32 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 114.681 -1.145 . . . . 0.0 112.858 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.492 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.1 m-20 -79.28 -43.03 24.47 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.035 0.445 . . . . 0.0 110.515 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.44 -114.76 0.0 OUTLIER Glycine 0 CA--C 1.521 0.435 0 CA-C-N 114.746 -1.116 . . . . 0.0 115.491 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.441 HG22 ' ND2' ' B' ' 35' ' ' ASN . 71.7 t -86.05 -55.18 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 115.781 1.771 . . . . 0.0 115.781 -175.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -87.87 25.09 1.6 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.85 165.31 52.9 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 119.611 -1.281 . . . . 0.0 111.417 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -88.66 93.18 9.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 117.343 0.572 . . . . 0.0 110.619 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.541 ' CH2' HG12 ' B' ' 30' ' ' VAL . 11.5 m95 -93.97 114.4 26.59 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.2 p -109.34 138.21 46.04 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 177.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.514 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 8.7 t80 -113.43 144.01 43.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.926 0.393 . . . . 0.0 111.812 -178.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -123.58 83.84 2.19 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.468 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.415 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 12.6 m-20 -45.68 -35.37 4.12 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.723 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.04 -34.27 20.9 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.1 p -128.2 13.72 6.68 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp 51.69 30.38 6.69 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.881 0.372 . . . . 0.0 110.254 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.623 HG23 ' O ' ' B' ' 4' ' ' LYS . 95.4 m -113.02 148.75 34.48 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.925 -178.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.514 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 2.7 m-85 -120.04 139.0 53.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.469 179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 3.0 p -115.38 123.22 48.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.136 0.493 . . . . 0.0 111.062 179.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -105.56 106.71 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.677 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.729 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 36.8 m -100.36 116.31 32.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.76 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' HG2' ' HA2' ' B' ' 9' ' ' GLY . 8.4 pt-20 . . . . . 0 C--O 1.25 1.117 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.856 -179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 88.8 mtp . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 121.049 0.452 . . . . 0.0 111.744 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -102.47 140.51 36.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.34 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -124.61 146.36 49.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.183 0.516 . . . . 0.0 111.564 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.623 ' O ' HG23 ' A' ' 51' ' ' THR . 17.6 tppt? -98.92 104.92 17.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.528 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.651 HG21 HG21 ' B' ' 30' ' ' VAL . 73.0 t -94.53 112.13 26.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.379 0.609 . . . . 0.0 110.721 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.835 HG22 ' OD1' ' B' ' 8' ' ' ASN . 68.5 mt -94.88 128.76 45.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.683 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 15.2 mt -109.95 105.29 14.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.237 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.835 ' OD1' HG22 ' B' ' 6' ' ' ILE . 5.4 m120 -109.18 108.7 19.44 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.409 ' HA2' ' HG2' ' A' ' 56' ' ' GLU . . . -113.41 -171.25 17.76 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.334 -0.936 . . . . 0.0 111.784 178.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -77.1 -52.6 9.02 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.952 0.406 . . . . 0.0 110.343 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.482 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 7.8 p -107.97 5.32 26.12 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.518 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.982 HD13 ' HB ' ' A' ' 18' ' ' THR . 24.2 tp -137.45 138.19 39.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.145 0.497 . . . . 0.0 111.714 -179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.481 ' H ' HD12 ' B' ' 12' ' ' LEU . 1.9 mppt? -143.85 143.08 31.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.93 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.63 -176.74 44.12 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 119.979 -1.105 . . . . 0.0 113.436 -179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -139.15 137.05 35.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.777 0.322 . . . . 0.0 110.175 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.712 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -137.11 167.62 21.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.473 HG22 ' HA ' ' B' ' 4' ' ' LYS . 73.2 p -143.72 119.94 10.83 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.384 0.883 . . . . 0.0 113.384 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.974 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.7 t -107.7 145.24 33.69 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.481 178.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -105.95 116.63 32.27 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.666 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -148.94 152.18 35.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.289 0.566 . . . . 0.0 112.0 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -51.12 -37.7 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.102 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.447 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 5.7 p-10 -144.45 170.45 16.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.977 0.418 . . . . 0.0 111.522 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.23 -42.04 85.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.227 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.1 -55.87 21.68 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.841 ' O ' HG23 ' B' ' 29' ' ' VAL . 26.5 p -52.96 -43.97 66.78 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.705 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.73 -52.46 65.03 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -50.65 -47.66 58.52 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.281 179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -62.66 -45.67 91.75 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.068 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.841 HG23 ' O ' ' B' ' 25' ' ' THR . 86.4 t -58.47 -39.65 75.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.127 179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.729 ' CG2' HG21 ' B' ' 18' ' ' THR . 45.7 t -68.21 -50.08 61.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.416 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . 29.2 mtpp -51.5 -43.04 62.1 Favored 'General case' 0 CA--C 1.521 -0.169 0 CA-C-O 120.976 0.417 . . . . 0.0 109.988 178.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -59.8 -36.41 76.68 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.933 ' CG ' HD23 ' A' ' 12' ' ' LEU . 49.4 t80 -53.95 -63.28 1.2 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.312 -0.858 . . . . 0.0 110.167 179.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 29.4 m-85 -67.71 -39.59 84.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.746 179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.441 ' ND2' HG22 ' A' ' 39' ' ' VAL . 34.8 t-20 -50.06 -39.04 40.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.56 0.695 . . . . 0.0 109.616 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -94.68 -24.17 17.27 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 114.637 -1.165 . . . . 0.0 112.707 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.487 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.1 m-20 -79.49 -43.06 23.92 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.909 0.385 . . . . 0.0 110.386 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.28 -114.7 0.0 OUTLIER Glycine 0 CA--C 1.523 0.545 0 CA-C-N 114.883 -1.053 . . . . 0.0 115.501 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.446 HG22 ' ND2' ' A' ' 35' ' ' ASN . 72.8 t -86.06 -55.31 6.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -175.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -87.76 25.04 1.59 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 -176.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.78 165.34 52.73 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 119.757 -1.211 . . . . 0.0 111.302 178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -88.93 93.41 9.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 117.233 0.517 . . . . 0.0 110.673 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.542 ' CH2' HG12 ' A' ' 30' ' ' VAL . 11.3 m95 -94.05 114.31 26.45 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.465 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 59.7 p -109.26 138.19 45.99 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.514 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 8.7 t80 -113.43 143.96 43.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.926 0.394 . . . . 0.0 111.842 -178.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -123.5 83.74 2.18 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.524 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.421 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 12.6 m-20 -45.63 -35.31 3.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.769 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.14 -34.22 21.51 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.5 p -128.2 13.66 6.68 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp 51.68 30.53 6.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.912 0.386 . . . . 0.0 110.157 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 4' ' ' LYS . 95.0 m -113.08 148.78 34.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.878 -178.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.514 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 2.8 m-85 -120.09 138.92 53.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.431 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.0 p -115.3 123.13 47.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.013 0.435 . . . . 0.0 111.125 179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.9 t -105.55 106.86 21.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.65 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.736 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 38.6 m -100.45 116.38 32.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.676 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.413 ' HG2' ' HA2' ' A' ' 9' ' ' GLY . 8.4 pt-20 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.817 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.0 ttm . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.928 0.395 . . . . 0.0 111.274 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -101.02 139.59 36.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.886 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.643 ' CE2' ' NZ ' ' B' ' 50' ' ' LYS . 36.7 m-85 -120.69 142.75 49.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.012 0.434 . . . . 0.0 111.459 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.73 ' O ' HG23 ' B' ' 51' ' ' THR . 22.6 tptm -99.25 103.76 15.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.347 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.586 ' HB ' HG23 ' A' ' 16' ' ' THR . 98.4 t -94.91 123.58 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.331 0.586 . . . . 0.0 111.652 -178.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.417 HG13 ' CG2' ' B' ' 51' ' ' THR . 13.8 mt -102.67 124.86 56.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.547 179.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.487 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.9 mt -103.15 84.5 2.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.609 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.496 ' O ' ' HA ' ' B' ' 55' ' ' THR . 34.9 t-20 -91.3 106.98 18.89 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.817 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.43 -167.36 14.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.495 -0.86 . . . . 0.0 112.697 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.544 ' HA ' ' NZ ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -82.43 -58.04 3.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.191 0.519 . . . . 0.0 110.147 179.549 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.461 ' HB ' HG11 ' B' ' 29' ' ' VAL . 3.1 p -100.19 0.23 40.05 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.044 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.957 HD13 ' HB ' ' B' ' 18' ' ' THR . 14.3 tp -139.32 138.03 36.33 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-O 121.334 0.587 . . . . 0.0 111.641 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.607 ' H ' HD12 ' A' ' 12' ' ' LEU . 27.3 mtpp -145.27 147.41 32.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.322 179.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.444 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -173.42 -173.26 39.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 119.337 -1.411 . . . . 0.0 114.572 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.592 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 56.0 mm-40 -138.59 126.34 22.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.898 -0.651 . . . . 0.0 110.02 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.82 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -134.34 167.12 21.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.276 -179.511 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.452 HG22 ' HD2' ' A' ' 4' ' ' LYS . 59.2 p -143.42 118.99 10.37 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.938 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.5 t -108.89 144.33 36.94 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.841 178.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -103.54 115.52 30.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.734 -0.212 . . . . 0.0 110.52 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.639 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -147.51 148.65 31.42 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-O 121.121 0.486 . . . . 0.0 111.796 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 t -50.88 -28.2 6.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.038 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.54 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -154.48 175.5 13.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 111.306 179.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.43 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -60.36 -42.97 96.9 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.406 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -63.08 -55.12 28.17 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.868 ' O ' HG23 ' A' ' 29' ' ' VAL . 43.4 p -50.89 -45.51 60.13 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.844 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.18 -52.06 66.91 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.319 178.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -53.3 -45.46 68.96 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.419 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 73.8 mmtt -65.57 -47.53 75.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.316 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 25' ' ' THR . 90.6 t -56.81 -41.36 75.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.048 179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.844 HG23 ' O ' ' A' ' 26' ' ' ALA . 40.8 t -64.61 -46.65 91.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 9.4 mtpm? -49.7 -45.11 48.57 Favored 'General case' 0 CA--C 1.522 -0.106 0 CA-C-O 121.099 0.476 . . . . 0.0 110.064 178.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.43 -36.49 76.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.229 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.549 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 34.5 t80 -54.5 -62.39 1.69 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.227 179.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.476 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 23.9 m-85 -68.09 -39.5 82.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.545 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.404 ' ND2' HG21 ' B' ' 39' ' ' VAL . 34.0 t-20 -50.07 -39.44 42.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.595 0.712 . . . . 0.0 109.848 178.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -94.89 -23.02 17.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.715 -1.13 . . . . 0.0 112.614 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.477 ' O ' ' C ' ' A' ' 38' ' ' GLY . 88.0 m-20 -79.98 -46.34 16.83 Favored 'General case' 0 CA--C 1.519 -0.219 0 CA-C-O 120.988 0.423 . . . . 0.0 109.958 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.95 -116.54 0.0 OUTLIER Glycine 0 C--N 1.332 0.341 0 CA-C-N 114.755 -1.111 . . . . 0.0 115.402 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 39' ' ' VAL . 39.7 t -106.53 2.65 10.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -176.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -125.28 15.48 8.35 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 118.811 0.732 . . . . 0.0 112.021 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.6 172.92 52.49 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.49 -0.862 . . . . 0.0 113.152 -179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -98.07 100.68 12.02 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.808 0.337 . . . . 0.0 110.428 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.423 ' HH2' HG12 ' B' ' 30' ' ' VAL . 8.3 m95 -96.46 118.69 33.51 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.649 0.611 . . . . 0.0 112.649 -178.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.1 p -109.21 136.14 49.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.887 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.522 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 20.4 t80 -107.34 144.78 33.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.935 0.398 . . . . 0.0 111.936 -179.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.465 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.3 t70 -122.85 81.69 1.9 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.578 179.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.39 -36.34 9.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.792 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.465 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.66 -33.67 16.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.876 -178.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.4 p -128.28 15.48 6.68 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.569 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.643 ' NZ ' ' CE2' ' B' ' 3' ' ' TYR . 0.4 OUTLIER 50.87 32.24 7.06 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 -179.605 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.736 HG23 ' O ' ' B' ' 4' ' ' LYS . 97.3 m -107.43 148.26 29.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.237 -178.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.542 ' HD2' HG22 ' B' ' 5' ' ' VAL . 88.8 m-85 -114.87 118.04 32.41 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.869 179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -101.99 123.35 45.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.337 0.589 . . . . 0.0 111.477 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.6 t -108.59 105.61 19.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.254 -0.885 . . . . 0.0 109.494 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 18.6 m -98.44 118.15 34.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.987 0.422 . . . . 0.0 111.654 -178.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.276 -0.869 . . . . 0.0 111.105 179.893 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 55.6 ttm . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.939 0.399 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -101.01 139.48 36.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.97 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.643 ' CE2' ' NZ ' ' A' ' 50' ' ' LYS . 36.6 m-85 -120.64 142.68 49.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.05 0.453 . . . . 0.0 111.523 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.736 ' O ' HG23 ' A' ' 51' ' ' THR . 22.5 tptm -99.14 103.66 15.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.351 179.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.583 ' HB ' HG23 ' B' ' 16' ' ' THR . 98.5 t -94.9 123.73 47.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.366 0.603 . . . . 0.0 111.689 -178.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' PHE . 13.6 mt -102.83 124.85 57.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.44 179.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.0 mt -103.15 84.51 2.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.522 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.505 ' O ' ' HA ' ' A' ' 55' ' ' THR . 34.7 t-20 -91.23 106.97 18.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.893 -178.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.48 -167.39 14.29 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.677 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.542 ' HA ' ' NZ ' ' B' ' 10' ' ' LYS . 0.0 OUTLIER -82.39 -58.08 3.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.203 0.525 . . . . 0.0 110.156 179.617 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.459 ' HB ' HG11 ' A' ' 29' ' ' VAL . 3.0 p -100.24 0.2 39.87 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.938 HD13 ' HB ' ' A' ' 18' ' ' THR . 14.4 tp -139.19 137.98 36.51 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.219 0.533 . . . . 0.0 111.733 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.604 ' H ' HD12 ' B' ' 12' ' ' LEU . 27.3 mtpp -145.3 147.43 32.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.411 179.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -173.44 -173.25 39.58 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 119.248 -1.453 . . . . 0.0 114.467 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.596 ' HB3' ' HE2' ' B' ' 4' ' ' LYS . 56.0 mm-40 -138.67 126.34 22.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 114.796 -0.702 . . . . 0.0 109.977 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.821 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -134.33 167.14 21.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.263 -179.485 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.444 HG22 ' HA ' ' B' ' 4' ' ' LYS . 58.6 p -143.46 118.99 10.34 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -178.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.957 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.4 t -108.92 144.32 37.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.773 178.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -103.59 115.59 30.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.69 -0.232 . . . . 0.0 110.477 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -147.57 148.7 31.43 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 121.166 0.508 . . . . 0.0 111.791 -179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 25.4 t -50.76 -28.31 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.013 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.539 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -154.48 175.46 13.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.882 0.372 . . . . 0.0 111.297 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.36 -42.92 96.77 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.481 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.429 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -63.06 -55.19 27.65 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.866 ' O ' HG23 ' B' ' 29' ' ' VAL . 42.9 p -50.93 -45.53 60.51 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.852 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.18 -52.04 67.01 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -53.22 -45.65 68.75 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.419 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' B' ' 24' ' ' ALA . 73.8 mmtt -65.41 -47.64 75.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.331 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.866 HG23 ' O ' ' B' ' 25' ' ' THR . 90.6 t -56.65 -41.39 74.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.114 179.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.852 HG23 ' O ' ' B' ' 26' ' ' ALA . 40.9 t -64.6 -46.75 91.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.458 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 9.4 mtpm? -49.62 -45.1 47.79 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-O 121.126 0.488 . . . . 0.0 110.129 178.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.44 -36.48 76.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.225 178.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.548 ' HB3' ' O ' ' B' ' 30' ' ' VAL . 34.4 t80 -54.62 -62.37 1.7 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.201 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.476 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 23.9 m-85 -67.9 -39.69 83.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.595 179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.411 ' ND2' HG21 ' A' ' 39' ' ' VAL . 33.9 t-20 -50.04 -39.45 41.93 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.565 0.698 . . . . 0.0 109.865 178.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -94.86 -22.98 17.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.826 -1.079 . . . . 0.0 112.567 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.479 ' O ' ' C ' ' B' ' 38' ' ' GLY . 88.0 m-20 -79.95 -46.31 16.95 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 120.598 -0.441 . . . . 0.0 109.948 179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.93 -116.53 0.0 OUTLIER Glycine 0 C--N 1.332 0.357 0 CA-C-N 114.723 -1.126 . . . . 0.0 115.39 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.652 HG12 ' O ' ' B' ' 39' ' ' VAL . 40.0 t -106.59 2.68 10.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -176.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -125.19 15.21 8.41 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 121.548 -0.72 . . . . 0.0 112.009 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.24 173.2 53.07 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.467 -0.873 . . . . 0.0 113.185 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -98.31 100.79 12.1 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.413 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.428 ' HH2' HG12 ' A' ' 30' ' ' VAL . 8.2 m95 -96.59 118.63 33.48 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 59.4 p -109.22 136.07 49.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.884 178.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.522 ' CD1' ' CE1' ' B' ' 52' ' ' PHE . 20.3 t80 -107.35 144.84 33.64 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.004 0.431 . . . . 0.0 111.829 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.462 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.3 t70 -123.0 81.61 1.89 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.471 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.24 -36.36 8.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.784 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.462 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.62 -33.65 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -178.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.0 p -128.27 15.5 6.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.673 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.65 ' HZ2' ' HB3' ' B' ' 50' ' ' LYS . 0.4 OUTLIER 50.87 32.28 7.09 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 -179.598 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 4' ' ' LYS . 97.3 m -107.39 148.33 29.23 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.188 -178.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.543 ' HD2' HG22 ' A' ' 5' ' ' VAL . 88.4 m-85 -114.94 118.15 32.64 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.845 179.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -101.86 123.27 45.51 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.28 0.562 . . . . 0.0 111.479 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.6 t -108.71 105.61 19.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.471 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 18.5 m -98.29 118.16 34.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.871 0.367 . . . . 0.0 111.578 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.948 179.919 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.48 ' HG3' ' CE1' ' A' ' 3' ' ' TYR . 55.2 tpp . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.983 0.42 . . . . 0.0 111.522 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -101.71 140.33 36.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.835 178.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.48 ' CE1' ' HG3' ' A' ' 1' ' ' MET . 63.3 m-85 -125.78 142.03 51.71 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.89 0.376 . . . . 0.0 110.977 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.848 ' O ' HG23 ' B' ' 51' ' ' THR . 24.8 ttmm -109.77 111.58 23.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.593 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.7 HG21 HG21 ' A' ' 30' ' ' VAL . 51.8 t -94.29 125.09 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.154 0.502 . . . . 0.0 111.008 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.509 ' HB ' HG22 ' B' ' 53' ' ' THR . 75.9 mt -94.92 122.67 46.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.584 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.443 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.5 mt -102.97 83.67 2.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.331 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.735 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.6 m120 -92.25 106.91 18.82 Favored 'General case' 0 C--O 1.226 -0.17 0 CA-C-N 115.943 -0.571 . . . . 0.0 112.164 -179.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.02 -171.62 18.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.074 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -78.69 -55.13 5.42 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.872 0.368 . . . . 0.0 110.466 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.573 ' OG1' HG13 ' B' ' 29' ' ' VAL . 7.7 p -105.41 3.33 29.56 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.936 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.964 HD13 ' HB ' ' B' ' 18' ' ' THR . 18.6 tp -137.77 138.61 39.43 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.04 0.448 . . . . 0.0 111.263 -179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.547 ' H ' HD12 ' A' ' 12' ' ' LEU . 60.7 mttp -145.11 145.08 31.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.23 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.19 -177.2 44.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.031 -1.081 . . . . 0.0 113.482 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.6 mp0 -138.9 136.02 35.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.875 0.369 . . . . 0.0 110.265 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.803 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -134.41 165.65 24.66 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.069 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 69.3 p -143.47 119.19 10.48 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.967 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.0 t -107.38 145.64 32.65 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.373 178.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -107.99 118.93 38.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.581 0.229 . . . . 0.0 110.823 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.601 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -149.07 152.04 35.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.211 0.529 . . . . 0.0 111.968 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.88 -27.67 5.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.753 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.465 ' OD1' HG23 ' A' ' 25' ' ' THR . 6.4 p-10 -153.39 174.79 13.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 111.542 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.635 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -59.22 -42.91 92.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.255 -179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.86 -55.31 31.15 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.794 ' O ' HG23 ' A' ' 29' ' ' VAL . 34.1 p -52.14 -45.19 64.9 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.495 ' HB1' HG23 ' A' ' 18' ' ' THR . . . -60.26 -53.43 57.76 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 4.8 tp10 -50.3 -50.22 51.29 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.918 179.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.7 mmtm -57.24 -38.84 74.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.994 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.794 HG23 ' O ' ' A' ' 25' ' ' THR . 93.4 t -57.93 -39.74 73.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.7 HG21 HG21 ' A' ' 5' ' ' VAL . 43.1 t -63.96 -48.15 87.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HD2' ' CZ3' ' B' ' 43' ' ' TRP . 1.0 OUTLIER -46.58 -42.92 16.74 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.675 179.094 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -72.88 -36.46 67.36 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.956 ' CG ' HD23 ' B' ' 12' ' ' LEU . 49.6 t80 -55.75 -57.24 12.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.771 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.47 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 25.1 m-85 -73.39 -40.66 64.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.528 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.587 HD22 HG21 ' B' ' 39' ' ' VAL . 14.4 t-20 -49.84 -37.61 31.48 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.397 0.618 . . . . 0.0 110.045 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.5 -22.81 18.01 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.608 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.47 ' O ' ' C ' ' A' ' 38' ' ' GLY . 85.0 m-20 -79.62 -46.87 16.42 Favored 'General case' 0 CA--C 1.521 -0.173 0 C-N-CA 120.272 -0.571 . . . . 0.0 109.466 178.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.33 -120.66 0.0 OUTLIER Glycine 0 C--N 1.334 0.454 0 CA-C-N 114.967 -1.015 . . . . 0.0 115.621 179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 39' ' ' VAL . 27.0 t -111.62 3.8 8.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -176.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -125.16 13.33 8.34 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.836 -0.54 . . . . 0.0 112.003 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.67 176.03 53.41 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.477 -0.868 . . . . 0.0 112.992 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -97.78 101.04 12.45 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.781 0.324 . . . . 0.0 110.138 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.568 ' CH2' HG12 ' B' ' 30' ' ' VAL . 14.4 m0 -98.52 120.86 39.67 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -178.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.9 p -103.34 134.11 47.28 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.506 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 11.3 t80 -106.35 140.1 39.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.894 0.378 . . . . 0.0 111.511 -179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.494 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.4 t70 -123.26 81.41 1.88 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.558 179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.23 -35.46 12.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.438 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.494 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.92 -31.08 11.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.97 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.4 p -126.97 14.55 7.37 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 48.95 38.48 12.46 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.066 0.46 . . . . 0.0 110.384 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.847 HG23 ' O ' ' B' ' 4' ' ' LYS . 97.4 m -121.58 141.64 50.88 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.475 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.683 ' O ' HG13 ' B' ' 5' ' ' VAL . 96.4 m-85 -108.91 95.54 5.72 Favored 'General case' 0 C--N 1.334 -0.086 0 CA-C-O 121.334 0.588 . . . . 0.0 111.879 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.509 HG22 ' HB ' ' B' ' 6' ' ' ILE . 2.5 p -76.59 130.12 37.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.243 -0.889 . . . . 0.0 111.693 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.2 t -122.14 127.53 75.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.385 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.725 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 5.6 m -116.27 124.16 49.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.019 0.438 . . . . 0.0 111.678 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.887 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.475 ' HG3' ' CE1' ' B' ' 3' ' ' TYR . 55.0 tpp . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.986 0.422 . . . . 0.0 111.459 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -101.73 140.21 36.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.829 178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.475 ' CE1' ' HG3' ' B' ' 1' ' ' MET . 63.7 m-85 -125.67 142.01 51.73 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.794 0.33 . . . . 0.0 111.053 -179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.847 ' O ' HG23 ' A' ' 51' ' ' THR . 24.8 ttmm -109.76 111.57 23.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.562 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.698 HG21 HG21 ' B' ' 30' ' ' VAL . 51.1 t -94.29 125.12 46.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.246 0.546 . . . . 0.0 111.015 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.509 ' HB ' HG22 ' A' ' 53' ' ' THR . 75.6 mt -94.94 122.75 46.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.575 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mt -102.98 83.69 2.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.287 -179.279 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.725 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.6 m120 -92.26 106.96 18.86 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.092 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.1 -171.65 18.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.96 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -78.64 -55.05 5.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.924 0.392 . . . . 0.0 110.562 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.574 ' OG1' HG13 ' A' ' 29' ' ' VAL . 7.7 p -105.46 3.36 29.46 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.953 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.967 HD13 ' HB ' ' A' ' 18' ' ' THR . 18.9 tp -137.82 138.66 39.41 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.051 0.453 . . . . 0.0 111.252 -179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.55 ' H ' HD12 ' B' ' 12' ' ' LEU . 60.8 mttp -145.15 145.07 31.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.228 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.13 -177.14 43.99 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 119.98 -1.105 . . . . 0.0 113.475 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -138.87 136.14 35.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.918 0.39 . . . . 0.0 110.239 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.793 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -134.52 165.66 24.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.99 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 69.1 p -143.49 119.18 10.46 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 113.098 0.777 . . . . 0.0 113.098 -178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.964 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.0 t -107.39 145.71 32.59 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.368 178.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -108.07 118.96 38.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.663 0.268 . . . . 0.0 110.759 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.599 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -149.1 152.0 35.4 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 121.204 0.526 . . . . 0.0 111.964 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.88 -27.62 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.691 -178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.464 ' OD1' HG23 ' B' ' 25' ' ' THR . 6.5 p-10 -153.42 174.76 13.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.998 0.428 . . . . 0.0 111.47 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.63 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -59.21 -42.93 92.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.353 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.93 -55.16 32.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.045 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.796 ' O ' HG23 ' B' ' 29' ' ' VAL . 34.2 p -52.18 -45.09 65.01 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 178.389 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.492 ' HB1' HG23 ' B' ' 18' ' ' THR . . . -60.41 -53.41 57.89 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 178.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.423 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 4.8 tp10 -50.2 -50.28 49.94 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.972 179.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -57.13 -38.84 74.06 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.066 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.796 HG23 ' O ' ' B' ' 25' ' ' THR . 93.7 t -57.99 -39.7 73.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.698 HG21 HG21 ' B' ' 5' ' ' VAL . 43.0 t -63.94 -48.23 87.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.463 ' HD2' ' CZ3' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -46.67 -42.82 17.01 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.72 179.173 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -72.83 -36.49 67.49 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.956 ' CG ' HD23 ' A' ' 12' ' ' LEU . 49.9 t80 -55.77 -57.26 12.77 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.792 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.468 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 25.2 m-85 -73.31 -40.69 64.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.629 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.58 HD22 HG21 ' A' ' 39' ' ' VAL . 14.4 t-20 -49.77 -37.63 30.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.346 0.593 . . . . 0.0 110.027 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.49 -22.8 18.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.08 -0.964 . . . . 0.0 112.551 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 85.0 m-20 -79.73 -46.81 16.37 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 120.25 -0.58 . . . . 0.0 109.459 178.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.37 -120.65 0.0 OUTLIER Glycine 0 C--N 1.334 0.435 0 CA-C-N 114.986 -1.006 . . . . 0.0 115.562 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' B' ' 39' ' ' VAL . 26.9 t -111.63 3.9 8.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 -176.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -125.25 13.22 8.28 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 121.789 -0.569 . . . . 0.0 111.985 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.61 175.98 53.45 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.078 -179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -97.73 101.03 12.43 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.566 ' CH2' HG12 ' A' ' 30' ' ' VAL . 14.5 m0 -98.49 120.93 39.77 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.492 0.553 . . . . 0.0 112.492 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 66.4 p -103.36 134.1 47.31 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.503 ' CD1' ' CE1' ' B' ' 52' ' ' PHE . 11.1 t80 -106.31 140.11 39.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.901 0.382 . . . . 0.0 111.488 -179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.493 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.4 t70 -123.22 81.41 1.88 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.587 179.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.32 -35.44 12.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.43 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.493 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.98 -30.94 11.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.899 -179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.9 p -127.02 14.58 7.34 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 48.98 38.47 12.54 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 121.035 0.445 . . . . 0.0 110.437 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.848 HG23 ' O ' ' A' ' 4' ' ' LYS . 99.6 m -121.47 141.65 50.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.894 -0.593 . . . . 0.0 111.516 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.679 ' O ' HG13 ' A' ' 5' ' ' VAL . 96.5 m-85 -108.94 95.5 5.69 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.339 0.59 . . . . 0.0 111.851 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.509 HG22 ' HB ' ' A' ' 6' ' ' ILE . 2.6 p -76.5 130.14 37.52 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.719 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.2 t -122.13 127.49 75.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.254 -0.884 . . . . 0.0 109.491 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.735 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 5.6 m -116.31 124.17 49.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.028 0.442 . . . . 0.0 111.613 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.884 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.451 ' HE3' ' CZ ' ' A' ' 3' ' ' TYR . 43.9 ttp . . . . . 0 N--CA 1.485 1.278 0 CA-C-O 120.659 0.266 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -109.89 149.3 30.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.824 0.345 . . . . 0.0 110.601 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.451 ' CZ ' ' HE3' ' A' ' 1' ' ' MET . 4.6 m-85 -133.95 151.75 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.6 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.57 ' HA ' HG22 ' A' ' 17' ' ' THR . 39.1 ttpt -101.39 108.3 19.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.392 179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.53 ' HB ' HG23 ' A' ' 16' ' ' THR . 67.3 t -94.75 111.82 26.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.42 0.629 . . . . 0.0 110.957 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.819 HG22 ' OD1' ' A' ' 8' ' ' ASN . 69.9 mt -94.68 131.43 41.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.233 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.452 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 14.7 mt -111.24 103.35 11.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.495 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.819 ' OD1' HG22 ' A' ' 6' ' ' ILE . 5.2 m120 -106.99 108.9 20.63 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.289 0.477 . . . . 0.0 112.289 -178.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.19 -170.74 17.04 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.553 -0.832 . . . . 0.0 111.919 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 4.0 mptp? -78.0 -54.81 5.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.898 0.38 . . . . 0.0 110.679 179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.454 ' OG1' HG13 ' B' ' 29' ' ' VAL . 9.2 p -104.62 4.54 32.86 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.342 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.987 HD13 ' HB ' ' B' ' 18' ' ' THR . 23.6 tp -138.66 138.58 37.92 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 121.147 0.499 . . . . 0.0 111.65 -179.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.484 ' H ' HD12 ' A' ' 12' ' ' LEU . 1.7 mppt? -144.89 145.41 31.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.049 179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.475 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -177.63 -170.77 40.35 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 119.98 -1.105 . . . . 0.0 113.464 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -145.27 140.82 28.08 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.772 0.32 . . . . 0.0 110.498 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.713 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -141.56 169.32 17.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.83 -179.573 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.57 HG22 ' HA ' ' A' ' 4' ' ' LYS . 47.4 p -143.19 120.07 11.28 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -178.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.987 ' HB ' HD13 ' B' ' 12' ' ' LEU . 15.3 t -107.16 142.56 36.68 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.047 179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -98.19 110.18 22.81 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.027 -0.361 . . . . 0.0 110.027 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.678 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -145.73 147.86 32.38 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.137 0.494 . . . . 0.0 111.952 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.0 t -50.89 -28.04 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.987 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.64 ' OD1' HG23 ' A' ' 25' ' ' THR . 58.1 p30 -158.13 177.81 10.89 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.954 0.407 . . . . 0.0 111.584 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.87 91.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.511 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.43 -55.65 28.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.116 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.861 ' O ' HG23 ' A' ' 29' ' ' VAL . 46.5 p -51.3 -45.54 62.22 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.789 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.11 -53.85 53.7 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.42 ' OE2' ' CE3' ' B' ' 43' ' ' TRP . 40.4 tp10 -48.56 -47.98 39.06 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.33 178.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.1 mmtm -65.5 -48.9 71.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.1 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.861 HG23 ' O ' ' A' ' 25' ' ' THR . 85.2 t -54.91 -42.28 62.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.378 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 26' ' ' ALA . 29.5 t -65.54 -47.92 84.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 64.9 mttm -49.87 -41.92 46.5 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.152 178.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -63.71 -37.17 86.35 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.935 ' CG ' HD23 ' B' ' 12' ' ' LEU . 39.6 t80 -54.97 -59.08 5.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.181 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -70.84 -40.82 72.16 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.941 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 29.4 t-20 -49.49 -38.55 30.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.492 0.663 . . . . 0.0 109.716 178.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -94.37 -22.81 18.09 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 114.717 -1.129 . . . . 0.0 112.491 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.472 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 88.2 m-20 -81.53 -46.84 13.91 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 120.363 -0.535 . . . . 0.0 110.028 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -8.89 -116.11 0.0 OUTLIER Glycine 0 C--N 1.333 0.367 0 N-CA-C 115.763 1.065 . . . . 0.0 115.763 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.65 HG12 ' O ' ' A' ' 39' ' ' VAL . 32.5 t -110.63 5.02 8.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 113.765 1.024 . . . . 0.0 113.765 -176.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -125.14 11.75 8.23 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.818 -0.551 . . . . 0.0 111.729 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.67 175.9 52.2 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.556 -0.831 . . . . 0.0 113.106 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -98.73 100.83 12.08 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.757 0.313 . . . . 0.0 110.535 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.514 ' HH2' HG12 ' B' ' 30' ' ' VAL . 13.9 m95 -91.32 112.23 24.05 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.1 p -104.46 133.24 49.67 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.426 ' CD2' ' OD1' ' A' ' 47' ' ' ASP . 9.8 t80 -111.9 144.98 40.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.896 0.379 . . . . 0.0 111.442 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -123.17 84.83 2.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.959 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.426 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 22.3 m-20 -48.7 -36.77 16.91 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.378 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.78 -33.4 16.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.013 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.5 p -127.41 15.29 7.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.609 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? 46.46 36.27 3.4 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.182 0.515 . . . . 0.0 110.679 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.682 HG21 HD12 ' B' ' 6' ' ' ILE . 98.6 m -116.59 146.49 42.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.264 -179.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.483 ' O ' ' N ' ' B' ' 6' ' ' ILE . 61.8 m-85 -110.11 126.93 54.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.07 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 3.0 p -110.6 125.97 53.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.02 0.438 . . . . 0.0 111.206 179.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.8 t -114.56 115.01 48.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.064 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.621 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 10.1 m -99.91 113.28 25.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.982 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' O ' ' HE2' ' B' ' 10' ' ' LYS . 4.3 tm-20 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.042 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.432 ' HE3' ' CZ ' ' B' ' 3' ' ' TYR . 44.0 ttp . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.639 0.257 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -109.85 149.22 30.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.657 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.432 ' CZ ' ' HE3' ' B' ' 1' ' ' MET . 4.7 m-85 -133.85 151.78 51.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.616 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.572 ' HA ' HG22 ' B' ' 17' ' ' THR . 39.0 ttpt -101.44 108.15 19.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.899 0.38 . . . . 0.0 110.428 179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.521 ' HB ' HG23 ' B' ' 16' ' ' THR . 67.2 t -94.65 111.92 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 CA-C-O 121.405 0.621 . . . . 0.0 111.033 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.827 HG22 ' OD1' ' B' ' 8' ' ' ASN . 70.3 mt -94.7 131.55 41.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.217 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 14.5 mt -111.37 103.49 11.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.463 -179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.827 ' OD1' HG22 ' B' ' 6' ' ' ILE . 5.2 m120 -107.16 108.8 20.42 Favored 'General case' 0 N--CA 1.462 0.135 0 N-CA-C 112.357 0.503 . . . . 0.0 112.357 -178.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.1 -170.75 17.11 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.469 -0.872 . . . . 0.0 111.895 178.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' B' ' 10' ' ' LYS . 4.0 mptp? -78.06 -54.72 5.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.888 0.375 . . . . 0.0 110.591 179.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.453 ' OG1' HG13 ' A' ' 29' ' ' VAL . 9.3 p -104.82 4.65 32.39 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.326 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.987 HD13 ' HB ' ' A' ' 18' ' ' THR . 23.3 tp -138.76 138.57 37.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.126 0.489 . . . . 0.0 111.583 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.481 ' H ' HD12 ' B' ' 12' ' ' LEU . 1.7 mppt? -144.94 145.37 31.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.083 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.479 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -177.63 -170.8 40.37 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.029 -1.081 . . . . 0.0 113.545 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -145.2 140.83 28.18 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.754 0.311 . . . . 0.0 110.507 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.711 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -141.55 169.16 18.12 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 -179.545 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.572 HG22 ' HA ' ' B' ' 4' ' ' LYS . 46.5 p -143.15 120.12 11.34 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.791 0.663 . . . . 0.0 112.791 -178.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.987 ' HB ' HD13 ' A' ' 12' ' ' LEU . 15.3 t -107.08 142.73 36.28 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.029 179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -98.3 110.34 22.94 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.675 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -145.76 147.93 32.42 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 121.168 0.508 . . . . 0.0 111.972 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 37.2 t -50.9 -28.05 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.069 -178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.645 ' OD1' HG23 ' B' ' 25' ' ' THR . 58.2 p30 -158.12 177.78 10.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.93 0.395 . . . . 0.0 111.623 179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.87 91.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.626 -179.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.39 -55.73 28.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.089 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.864 ' O ' HG23 ' B' ' 29' ' ' VAL . 46.8 p -51.22 -45.59 61.98 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 178.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.8 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -58.96 -53.95 52.58 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 178.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.417 ' OE2' ' CE3' ' A' ' 43' ' ' TRP . 40.5 tp10 -48.52 -48.05 38.58 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.389 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -65.42 -48.88 71.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.104 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.864 HG23 ' O ' ' B' ' 25' ' ' THR . 83.9 t -54.94 -42.31 63.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.281 179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.8 HG23 ' O ' ' B' ' 26' ' ' ALA . 29.0 t -65.56 -47.86 84.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 178.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 64.9 mttm -49.95 -41.95 47.61 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.14 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -63.54 -37.29 86.74 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 178.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.938 ' CG ' HD23 ' A' ' 12' ' ' LEU . 39.3 t80 -54.96 -59.08 5.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.173 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -70.81 -40.87 72.24 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.895 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' B' ' 31' ' ' LYS . 29.4 t-20 -49.45 -38.6 30.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.607 0.717 . . . . 0.0 109.78 178.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -94.31 -22.78 18.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.704 -1.135 . . . . 0.0 112.539 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.473 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 88.2 m-20 -81.56 -46.89 13.8 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.06 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -8.81 -116.23 0.0 OUTLIER Glycine 0 CA--C 1.519 0.324 0 CA-C-N 114.97 -1.014 . . . . 0.0 115.615 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.645 HG12 ' O ' ' B' ' 39' ' ' VAL . 32.5 t -110.56 5.08 8.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -176.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -125.15 11.6 8.21 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.872 -0.517 . . . . 0.0 111.784 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.6 175.94 52.32 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.596 -0.811 . . . . 0.0 113.111 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -98.81 100.77 12.01 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.774 0.321 . . . . 0.0 110.539 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.506 ' HH2' HG12 ' A' ' 30' ' ' VAL . 13.9 m95 -91.36 112.2 24.01 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -178.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 64.1 p -104.46 133.18 49.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.666 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.429 ' CD2' ' OD1' ' B' ' 47' ' ' ASP . 9.9 t80 -111.82 144.96 40.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.984 0.421 . . . . 0.0 111.44 -178.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -123.15 84.96 2.34 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.869 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.429 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 22.1 m-20 -48.68 -36.77 16.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.495 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.82 -33.48 16.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.997 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 72.1 p -127.39 15.47 7.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? 46.46 36.11 3.3 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.17 0.51 . . . . 0.0 110.7 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.677 HG21 HD12 ' A' ' 6' ' ' ILE . 98.9 m -116.47 146.53 42.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.268 -179.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.484 ' O ' ' N ' ' A' ' 6' ' ' ILE . 62.0 m-85 -110.09 126.94 54.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -110.65 125.96 54.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.068 0.461 . . . . 0.0 111.123 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 48.5 t -114.5 115.01 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.099 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.62 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 10.0 m -99.97 113.33 25.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.895 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.423 ' O ' ' HE2' ' A' ' 10' ' ' LYS . 4.3 tm-20 . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.383 -0.818 . . . . 0.0 111.058 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.452 ' CE ' ' CE ' ' B' ' 50' ' ' LYS . 18.3 ttt . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.632 0.253 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -106.55 141.24 38.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.129 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -127.94 148.16 50.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.82 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.488 ' HB2' ' NZ ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -94.9 135.29 36.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.406 179.617 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.951 ' HB ' HG23 ' A' ' 16' ' ' THR . 47.7 t -122.22 117.43 52.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.172 0.511 . . . . 0.0 111.054 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.601 ' HB ' HG22 ' B' ' 53' ' ' THR . 70.9 mt -98.88 118.7 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.72 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.456 ' CD2' HG12 ' A' ' 5' ' ' VAL . 9.3 mt -101.22 88.47 3.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.909 0.385 . . . . 0.0 110.315 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.578 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.3 m120 -95.55 105.46 17.44 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.319 -179.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.16 -171.14 20.0 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.219 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -73.74 -55.26 6.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.709 0.29 . . . . 0.0 111.134 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.544 ' OG1' HG13 ' B' ' 29' ' ' VAL . 4.7 p -112.85 13.15 19.62 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.193 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.956 HD23 ' CG ' ' B' ' 33' ' ' PHE . 20.9 tp -138.54 138.45 38.0 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.978 0.418 . . . . 0.0 110.922 -179.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.525 ' H ' HD12 ' A' ' 12' ' ' LEU . 35.2 mmtp -141.35 140.13 33.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.255 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.492 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -174.11 -176.64 42.68 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 119.929 -1.129 . . . . 0.0 113.45 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 54.4 mp0 -142.91 140.88 31.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.903 0.382 . . . . 0.0 110.466 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.951 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -137.89 168.46 19.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.919 -179.81 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.487 ' O ' HD12 ' B' ' 12' ' ' LEU . 81.3 p -143.63 121.26 11.81 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -179.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.944 ' HB ' HD13 ' B' ' 12' ' ' LEU . 10.3 t -105.98 141.01 38.09 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.188 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -100.68 111.92 24.23 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.632 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -147.6 151.2 35.84 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 121.3 0.571 . . . . 0.0 112.082 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.1 t -51.02 -37.12 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.202 -0.908 . . . . 0.0 112.114 -178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.633 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -144.11 171.12 14.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.802 0.334 . . . . 0.0 111.311 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.529 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -57.5 -42.46 82.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.57 -179.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.84 -54.47 38.36 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.755 ' O ' HG23 ' A' ' 29' ' ' VAL . 74.0 p -52.13 -45.87 65.14 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 178.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.632 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.98 -51.79 68.14 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.282 178.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.488 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 44.6 tt0 -53.15 -48.53 67.87 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.818 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -57.53 -39.64 77.04 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.832 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 25' ' ' THR . 86.9 t -56.88 -39.79 67.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.751 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.486 ' CG1' ' CE2' ' A' ' 34' ' ' PHE . 10.5 t -63.66 -47.23 92.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.599 179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.488 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 4.2 mptp? -47.56 -46.42 27.89 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.886 0.374 . . . . 0.0 110.484 178.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -69.38 -38.09 77.86 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.958 ' CG ' HD23 ' B' ' 12' ' ' LEU . 62.9 t80 -55.26 -53.61 53.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.866 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.486 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 22.7 m-85 -76.81 -39.83 50.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.403 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.6 HD22 HG21 ' B' ' 39' ' ' VAL . 14.7 t-20 -50.17 -37.72 36.15 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.389 0.614 . . . . 0.0 110.029 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -94.22 -24.47 17.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.531 -179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.559 ' OD1' HG12 ' A' ' 54' ' ' VAL . 84.7 m-20 -77.49 -46.46 22.39 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 178.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.468 ' O ' ' O ' ' A' ' 37' ' ' ASN . . . -4.16 -122.55 0.0 OUTLIER Glycine 0 C--N 1.334 0.425 0 CA-C-N 114.777 -1.101 . . . . 0.0 115.595 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.664 HG12 ' O ' ' A' ' 39' ' ' VAL . 33.3 t -112.04 4.9 8.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.56 13.4 8.73 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.877 -0.514 . . . . 0.0 112.125 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.17 176.33 53.8 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.508 -0.853 . . . . 0.0 113.016 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -96.9 102.9 14.77 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.472 ' CH2' ' HD2' ' B' ' 31' ' ' LYS . 7.2 m0 -100.36 120.49 40.04 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.428 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 74.7 p -107.16 135.77 48.12 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.515 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 8.5 t80 -111.26 144.44 40.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.962 0.41 . . . . 0.0 111.421 -178.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.452 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.7 t0 -123.27 83.39 2.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.608 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 52.8 m-20 -48.0 -37.31 14.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.424 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.452 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -53.16 -35.12 59.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.042 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.1 p -115.82 10.56 15.35 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.486 ' HB3' ' NZ ' ' A' ' 50' ' ' LYS . 2.8 mmmp? 49.05 34.9 6.15 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.884 -0.326 . . . . 0.0 110.78 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 70.7 m -127.11 146.12 50.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.105 0.479 . . . . 0.0 111.871 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.527 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 1.9 m-85 -109.84 141.15 42.93 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.828 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.608 HG22 ' HB ' ' B' ' 6' ' ' ILE . 2.8 p -120.45 128.26 53.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.264 0.554 . . . . 0.0 111.939 179.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.559 HG12 ' OD1' ' A' ' 37' ' ' ASN . 48.0 t -108.05 108.95 26.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.109 178.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.578 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 2.9 m -99.88 112.3 24.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.987 0.422 . . . . 0.0 111.378 -178.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.932 179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.469 ' HE2' ' CE ' ' A' ' 50' ' ' LYS . 18.3 ttt . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.717 0.294 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -106.58 141.29 38.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.802 0.335 . . . . 0.0 111.132 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -128.0 148.18 50.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.792 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.484 ' NZ ' ' HB2' ' B' ' 4' ' ' LYS . 0.1 OUTLIER -95.01 135.36 36.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.303 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.952 ' HB ' HG23 ' B' ' 16' ' ' THR . 47.6 t -122.25 117.4 52.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.136 0.493 . . . . 0.0 111.044 -179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.608 ' HB ' HG22 ' A' ' 53' ' ' THR . 70.9 mt -98.89 118.63 45.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.777 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.45 ' CD2' HG12 ' B' ' 5' ' ' VAL . 9.3 mt -101.15 88.5 3.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.935 0.398 . . . . 0.0 110.371 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.578 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.3 m120 -95.62 105.46 17.45 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.053 -0.521 . . . . 0.0 112.344 -179.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.25 -171.16 19.94 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.21 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -73.54 -55.41 6.35 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.689 0.281 . . . . 0.0 111.185 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.546 ' OG1' HG13 ' A' ' 29' ' ' VAL . 4.8 p -112.72 12.97 19.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.189 -179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.958 HD23 ' CG ' ' A' ' 33' ' ' PHE . 20.9 tp -138.45 138.34 38.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.998 -179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.523 ' H ' HD12 ' B' ' 12' ' ' LEU . 35.2 mmtp -141.19 140.2 33.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.128 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -174.09 -176.73 42.73 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.011 -1.09 . . . . 0.0 113.446 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 54.6 mp0 -142.92 141.05 31.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.95 0.405 . . . . 0.0 110.421 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.952 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -138.0 168.51 19.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.949 -179.79 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.488 ' O ' HD12 ' A' ' 12' ' ' LEU . 79.2 p -143.77 121.18 11.66 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -178.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.939 ' HB ' HD13 ' A' ' 12' ' ' LEU . 10.1 t -106.01 141.07 38.02 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.133 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -100.67 111.79 24.08 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.632 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -147.52 151.25 36.04 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.284 0.564 . . . . 0.0 112.121 -179.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.2 t -51.09 -37.05 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.223 -0.899 . . . . 0.0 112.006 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.634 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -144.24 171.05 14.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.871 0.367 . . . . 0.0 111.267 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.527 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -57.48 -42.38 82.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.648 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.85 -54.36 39.92 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.756 ' O ' HG23 ' B' ' 29' ' ' VAL . 75.2 p -52.24 -45.72 65.44 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.632 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -60.03 -51.85 67.87 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.206 178.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.483 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 44.6 tt0 -53.14 -48.55 67.82 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.872 179.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -57.52 -39.6 76.91 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.829 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.756 HG23 ' O ' ' B' ' 25' ' ' THR . 87.1 t -56.85 -39.9 67.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.695 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.488 ' CG1' ' CE2' ' B' ' 34' ' ' PHE . 10.5 t -63.65 -47.36 91.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.483 ' HD3' ' O ' ' B' ' 27' ' ' GLU . 4.1 mptp? -47.48 -46.45 27.04 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.921 0.391 . . . . 0.0 110.557 178.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -69.28 -38.2 78.24 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.956 ' CG ' HD23 ' A' ' 12' ' ' LEU . 62.8 t80 -55.19 -53.64 53.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.877 179.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.488 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 22.8 m-85 -76.66 -39.95 50.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.365 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.595 HD22 HG21 ' A' ' 39' ' ' VAL . 14.6 t-20 -50.19 -37.72 36.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.446 0.641 . . . . 0.0 110.056 178.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -94.25 -24.46 17.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.133 -0.94 . . . . 0.0 112.501 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.561 ' OD1' HG12 ' B' ' 54' ' ' VAL . 84.7 m-20 -77.49 -46.35 22.74 Favored 'General case' 0 CA--C 1.519 -0.226 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.465 ' O ' ' O ' ' B' ' 37' ' ' ASN . . . -4.21 -122.57 0.0 OUTLIER Glycine 0 C--N 1.333 0.415 0 CA-C-N 114.678 -1.147 . . . . 0.0 115.587 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.667 HG12 ' O ' ' B' ' 39' ' ' VAL . 34.1 t -112.0 4.89 8.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -176.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.54 13.41 8.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.841 -0.537 . . . . 0.0 112.067 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.27 176.3 53.73 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.475 -0.869 . . . . 0.0 112.997 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -96.78 102.89 14.76 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.471 ' CZ3' ' HB ' ' A' ' 30' ' ' VAL . 7.1 m0 -100.26 120.43 39.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.462 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 75.0 p -107.23 135.65 48.4 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.513 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 8.4 t80 -111.15 144.36 40.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.939 0.399 . . . . 0.0 111.425 -178.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.451 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.6 t0 -123.2 83.34 2.11 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.75 179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 53.2 m-20 -47.88 -37.52 14.25 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.338 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.451 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -53.1 -35.01 59.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.022 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.4 p -115.92 10.64 15.26 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.483 ' NZ ' ' HB3' ' B' ' 50' ' ' LYS . 2.8 mmmp? 48.96 34.95 5.99 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.837 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 70.0 m -127.14 145.99 50.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.075 0.464 . . . . 0.0 111.917 -178.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.529 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 1.9 m-85 -109.77 141.2 42.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.886 179.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.601 HG22 ' HB ' ' A' ' 6' ' ' ILE . 2.7 p -120.5 128.26 52.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.322 0.582 . . . . 0.0 111.911 179.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.561 HG12 ' OD1' ' B' ' 37' ' ' ASN . 47.9 t -107.89 108.97 26.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.139 178.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.578 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 2.9 m -99.95 112.19 24.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.019 0.438 . . . . 0.0 111.457 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.974 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.0 mmm . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 121.021 0.439 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -105.83 144.88 31.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.176 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 17' ' ' THR . 21.2 m-85 -125.91 143.68 50.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.706 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.807 ' O ' HG23 ' B' ' 51' ' ' THR . 6.8 ttpm? -105.83 108.47 20.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.206 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.804 ' HB ' HG23 ' A' ' 16' ' ' THR . 52.0 t -94.8 132.03 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.278 0.561 . . . . 0.0 111.374 -179.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.44 HG13 ' CG2' ' B' ' 51' ' ' THR . 67.2 mt -101.25 116.22 44.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.512 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.449 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.2 mt -94.85 89.85 5.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.535 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.587 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.6 t-20 -98.23 105.48 17.63 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.913 -178.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.512 ' HA2' ' OE1' ' B' ' 56' ' ' GLU . . . -113.98 -166.63 15.96 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.033 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.478 ' HG2' ' HG3' ' B' ' 56' ' ' GLU . 28.3 mmmt -72.0 -57.08 4.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.327 . . . . 0.0 111.326 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.641 ' OG1' HG13 ' B' ' 29' ' ' VAL . 3.9 p -114.73 15.0 17.61 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 -179.093 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.964 HD13 ' HB ' ' B' ' 18' ' ' THR . 33.1 tp -139.54 139.22 36.82 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 121.127 0.489 . . . . 0.0 111.342 -179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' H ' HD12 ' A' ' 12' ' ' LEU . 66.4 mttm -145.28 144.61 30.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.208 179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.539 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.04 -169.75 39.34 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.059 -1.067 . . . . 0.0 113.542 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -145.36 136.7 25.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.032 0.444 . . . . 0.0 110.749 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.804 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -131.54 168.17 18.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.904 -179.766 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.485 ' O ' HD12 ' B' ' 12' ' ' LEU . 66.9 p -143.44 118.47 10.05 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -179.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.986 ' HB ' HD13 ' B' ' 12' ' ' LEU . 10.3 t -107.44 143.57 35.6 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.349 178.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -106.71 112.65 25.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.645 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -143.22 153.16 42.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.372 0.606 . . . . 0.0 112.001 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -50.79 -26.0 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.806 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.546 ' OD1' HG23 ' A' ' 25' ' ' THR . 7.9 p-10 -157.97 174.95 14.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.007 0.432 . . . . 0.0 111.635 179.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -58.21 -42.0 85.23 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.323 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.403 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -62.52 -54.11 44.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.174 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.831 ' O ' HG23 ' A' ' 29' ' ' VAL . 33.3 p -52.4 -44.68 65.51 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.466 ' HB1' ' CG2' ' A' ' 18' ' ' THR . . . -60.26 -53.15 61.08 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -51.09 -48.5 61.65 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.773 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -61.57 -44.26 97.36 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.108 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 25' ' ' THR . 78.7 t -55.47 -44.57 76.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.654 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.741 HG21 HG21 ' A' ' 5' ' ' VAL . 90.7 t -65.06 -47.54 87.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.446 ' HA ' ' CH2' ' B' ' 43' ' ' TRP . 90.7 mttt -48.34 -49.0 36.02 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.591 179.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.424 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 7.2 tt0 -66.7 -35.81 81.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.512 179.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.948 ' CG ' HD23 ' B' ' 12' ' ' LEU . 69.8 t80 -52.59 -51.46 59.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.999 178.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.433 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 26.3 m-85 -77.34 -37.21 52.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.305 178.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.562 ' ND2' HG22 ' B' ' 39' ' ' VAL . 27.7 t-20 -49.92 -39.78 41.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.629 0.728 . . . . 0.0 109.81 178.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.71 -24.34 17.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.722 -1.126 . . . . 0.0 112.863 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 88.8 m-20 -78.22 -46.14 21.2 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -3.61 -119.53 0.0 OUTLIER Glycine 0 CA--C 1.521 0.427 0 CA-C-N 114.415 -1.266 . . . . 0.0 116.156 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.557 HG22 ' ND2' ' B' ' 35' ' ' ASN . 58.7 t -85.52 -55.23 7.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 115.978 1.844 . . . . 0.0 115.978 -175.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -92.2 29.29 1.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -176.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.64 161.76 54.26 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 119.887 -1.149 . . . . 0.0 112.057 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -87.53 99.17 11.83 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.86 0.33 . . . . 0.0 110.11 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.612 ' CH2' HG12 ' B' ' 30' ' ' VAL . 8.4 m0 -100.91 118.95 37.97 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -177.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 75.9 p -110.65 137.81 47.85 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.51 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 8.4 t80 -114.62 144.8 42.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.726 0.298 . . . . 0.0 111.526 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.655 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.1 t70 -123.52 84.34 2.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.59 179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 17.9 m-20 -47.93 -34.05 8.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.33 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.655 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.91 -34.09 19.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.22 -179.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.4 p -125.25 16.0 8.37 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 50' ' ' LYS . 8.3 mmmt 48.95 35.41 6.69 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.702 0.287 . . . . 0.0 110.613 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.805 HG23 ' O ' ' B' ' 4' ' ' LYS . 95.8 m -125.23 142.01 51.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.007 0.432 . . . . 0.0 111.845 -178.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.51 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 6.8 m-85 -107.7 138.99 42.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.352 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -116.24 125.77 52.68 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.204 0.526 . . . . 0.0 111.025 178.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.1 t -113.89 119.22 60.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.143 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.588 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 8.9 m -100.45 110.15 22.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.42 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.507 ' OE1' ' HA2' ' B' ' 9' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.204 -0.903 . . . . 0.0 112.299 -178.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.8 mmm . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 121.049 0.452 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -105.83 144.83 32.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.158 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.44 ' O ' ' HA ' ' B' ' 17' ' ' THR . 21.3 m-85 -125.8 143.73 50.94 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.756 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.805 ' O ' HG23 ' A' ' 51' ' ' THR . 6.8 ttpm? -105.72 108.57 20.16 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.109 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.81 ' HB ' HG23 ' B' ' 16' ' ' THR . 51.2 t -94.84 131.96 40.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.335 0.588 . . . . 0.0 111.421 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.444 HG13 ' CG2' ' A' ' 51' ' ' THR . 67.1 mt -101.1 116.12 44.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.433 179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.2 mt -94.89 89.84 5.79 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.588 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.7 t-20 -98.19 105.49 17.64 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.988 -178.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.507 ' HA2' ' OE1' ' A' ' 56' ' ' GLU . . . -113.89 -166.73 16.06 Favored Glycine 0 C--N 1.331 0.302 0 C-N-CA 120.437 -0.887 . . . . 0.0 113.005 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.469 ' HG2' ' HG3' ' A' ' 56' ' ' GLU . 28.3 mmmt -71.97 -57.06 4.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 111.298 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.633 ' OG1' HG13 ' A' ' 29' ' ' VAL . 3.8 p -114.74 15.06 17.58 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.154 -179.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.986 HD13 ' HB ' ' A' ' 18' ' ' THR . 32.7 tp -139.53 139.22 36.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.125 0.488 . . . . 0.0 111.262 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.463 ' H ' HD12 ' B' ' 12' ' ' LEU . 66.4 mttm -145.27 144.53 30.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.223 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.543 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.04 -169.8 39.4 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 119.971 -1.109 . . . . 0.0 113.398 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -145.34 136.76 25.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.047 0.451 . . . . 0.0 110.64 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.81 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.1 OUTLIER -131.57 168.19 18.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.008 -179.844 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.489 ' O ' HD12 ' A' ' 12' ' ' LEU . 66.5 p -143.44 118.48 10.05 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.964 ' HB ' HD13 ' A' ' 12' ' ' LEU . 10.4 t -107.44 143.54 35.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.303 178.281 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -106.68 112.8 25.94 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.642 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -143.4 153.08 42.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.216 0.531 . . . . 0.0 112.025 -179.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.9 t -50.79 -25.97 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.814 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.538 ' OD1' HG23 ' B' ' 25' ' ' THR . 7.9 p-10 -157.93 174.86 14.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.911 0.386 . . . . 0.0 111.649 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.427 ' HA ' ' CE2' ' B' ' 3' ' ' TYR . . . -58.1 -42.11 84.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.364 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.49 -54.04 45.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.189 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.834 ' O ' HG23 ' B' ' 29' ' ' VAL . 32.8 p -52.55 -44.69 65.99 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.465 ' HB1' ' CG2' ' B' ' 18' ' ' THR . . . -60.1 -53.29 59.49 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -51.0 -48.6 61.32 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.797 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -61.34 -44.45 97.18 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.029 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.834 HG23 ' O ' ' B' ' 25' ' ' THR . 78.2 t -55.4 -44.55 76.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.65 179.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.742 HG21 HG21 ' B' ' 5' ' ' VAL . 90.7 t -65.23 -47.44 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.626 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.445 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . 90.7 mttt -48.33 -49.02 35.8 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-O 120.955 0.407 . . . . 0.0 110.601 179.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.424 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 7.2 tt0 -66.63 -35.82 81.1 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.56 179.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.949 ' CG ' HD23 ' A' ' 12' ' ' LEU . 70.2 t80 -52.58 -51.55 59.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.905 178.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.432 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 26.3 m-85 -77.39 -37.03 52.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.361 178.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.557 ' ND2' HG22 ' A' ' 39' ' ' VAL . 27.7 t-20 -50.06 -39.78 43.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.559 0.695 . . . . 0.0 109.804 178.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.66 -24.25 17.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.754 -1.112 . . . . 0.0 112.955 -179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 88.8 m-20 -78.3 -46.16 20.86 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -3.77 -119.47 0.0 OUTLIER Glycine 0 CA--C 1.521 0.429 0 CA-C-N 114.475 -1.238 . . . . 0.0 116.086 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.562 HG22 ' ND2' ' A' ' 35' ' ' ASN . 59.0 t -85.53 -55.16 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 115.994 1.85 . . . . 0.0 115.994 -175.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -92.22 29.33 1.68 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -176.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.65 161.71 54.25 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 119.973 -1.108 . . . . 0.0 112.063 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -87.53 99.29 11.93 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.614 ' CH2' HG12 ' A' ' 30' ' ' VAL . 8.4 m0 -101.04 119.08 38.22 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -177.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 74.3 p -110.81 137.73 48.09 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.512 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 8.4 t80 -114.61 144.73 42.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.82 0.343 . . . . 0.0 111.494 -178.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.655 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.2 t70 -123.49 84.38 2.26 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.646 179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.434 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 17.6 m-20 -47.88 -33.96 8.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.376 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.655 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.11 -34.1 20.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.05 -179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 75.5 p -125.26 16.19 8.37 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' B' ' 50' ' ' LYS . 8.2 mmmt 48.79 35.55 6.63 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 120.734 0.302 . . . . 0.0 110.633 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.807 HG23 ' O ' ' A' ' 4' ' ' LYS . 96.1 m -125.28 142.0 51.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.084 0.468 . . . . 0.0 111.708 -178.622 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.512 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 6.6 m-85 -107.63 139.15 42.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.392 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -116.24 125.72 52.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.198 0.523 . . . . 0.0 111.012 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.5 t -113.89 119.25 60.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.149 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.587 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 8.7 m -100.43 110.12 22.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.526 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.512 ' OE1' ' HA2' ' A' ' 9' ' ' GLY . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.142 -0.933 . . . . 0.0 112.268 -178.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.5 mmm . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.894 0.378 . . . . 0.0 111.432 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -108.81 146.17 34.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.134 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -130.48 147.51 52.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.696 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.507 ' O ' HG23 ' B' ' 51' ' ' THR . 7.1 ttpm? -104.29 112.43 25.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.755 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.606 ' HB ' HG23 ' A' ' 16' ' ' THR . 68.0 t -95.68 131.51 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.18 0.514 . . . . 0.0 110.024 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.705 HG22 ' OD1' ' A' ' 8' ' ' ASN . 57.8 mt -109.82 128.58 65.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.686 -179.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.48 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 13.6 mt -107.64 96.05 6.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.733 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.712 ' O ' ' HA ' ' B' ' 55' ' ' THR . 3.3 m120 -105.75 111.1 23.63 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.932 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.08 -166.04 13.32 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.739 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -83.72 -55.97 3.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.029 0.442 . . . . 0.0 110.09 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.3 p -100.66 -2.66 32.1 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.242 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.989 HD13 ' HB ' ' B' ' 18' ' ' THR . 20.5 tp -136.84 135.55 38.0 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 121.053 0.454 . . . . 0.0 111.406 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.461 ' H ' HD12 ' A' ' 12' ' ' LEU . 50.3 mtmt -145.57 147.84 32.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.493 179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.53 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.99 -170.76 42.05 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.007 -1.092 . . . . 0.0 113.537 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 51.4 mp0 -138.9 150.06 45.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.734 0.302 . . . . 0.0 110.522 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.743 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -151.18 169.01 22.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.923 -179.514 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.503 HG22 ' HA ' ' A' ' 4' ' ' LYS . 64.3 p -143.59 122.28 12.59 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.988 ' HB ' HD13 ' B' ' 12' ' ' LEU . 14.9 t -111.37 146.06 37.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.918 178.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -107.06 117.83 35.09 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.703 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -148.4 150.49 33.62 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.126 0.488 . . . . 0.0 111.855 -179.51 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.7 t -50.84 -24.49 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.952 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.428 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -160.33 176.3 11.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.838 0.351 . . . . 0.0 111.605 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.34 -41.81 90.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.51 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.22 -53.12 58.07 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.836 ' O ' HG23 ' A' ' 29' ' ' VAL . 59.1 p -53.23 -46.18 69.03 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 178.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.834 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -58.16 -51.86 67.96 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.558 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 2.7 tm-20 -53.03 -46.8 68.61 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.378 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -64.55 -49.57 70.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.409 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 25' ' ' THR . 67.3 t -54.59 -41.34 54.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.865 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 26' ' ' ALA . 65.3 t -62.02 -45.91 97.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.482 178.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 10.9 mmtm -49.41 -49.02 46.67 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-O 121.06 0.457 . . . . 0.0 110.147 179.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.401 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 3.5 tp-100 -59.27 -39.7 83.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.197 179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.862 ' CG ' HD23 ' B' ' 12' ' ' LEU . 40.2 t80 -51.82 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.972 179.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.48 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 28.1 m-85 -67.81 -38.86 83.82 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.019 179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.575 HD22 HG22 ' B' ' 39' ' ' VAL . 25.4 t-20 -50.53 -37.96 42.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.471 0.653 . . . . 0.0 109.731 178.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.22 -23.88 17.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.81 -1.086 . . . . 0.0 112.31 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.441 ' O ' ' HA3' ' A' ' 41' ' ' GLY . 85.3 m-20 -82.22 -43.47 17.59 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.914 0.387 . . . . 0.0 110.237 179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.452 ' HA2' ' CB ' ' B' ' 34' ' ' PHE . . . -13.91 -114.19 0.0 OUTLIER Glycine 0 CA--C 1.519 0.308 0 N-CA-C 116.663 1.425 . . . . 0.0 116.663 -179.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.565 HG22 HD22 ' B' ' 35' ' ' ASN . 98.3 t -77.54 -55.52 10.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -176.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.35 24.92 3.63 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' A' ' 37' ' ' ASN . . . -63.31 141.95 46.67 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.124 -1.036 . . . . 0.0 112.256 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.4 mm-40 -87.79 103.16 15.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.7 0.286 . . . . 0.0 110.281 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.809 ' CD1' HG13 ' A' ' 54' ' ' VAL . 3.7 m0 -120.81 148.83 43.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.056 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.5 p -118.05 146.96 43.7 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 10.0 t80 -111.6 142.83 43.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.895 0.378 . . . . 0.0 111.716 -179.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -123.02 85.54 2.44 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.63 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.422 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 12.2 m-20 -46.61 -38.79 10.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.748 -179.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.89 -32.53 14.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 112.147 -178.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.7 p -128.4 12.75 6.51 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 mttp 49.14 34.32 5.82 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.89 0.376 . . . . 0.0 110.545 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.509 HG23 ' O ' ' B' ' 4' ' ' LYS . 86.6 m -118.24 141.64 48.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.527 -179.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.1 m-85 -113.36 147.5 37.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.112 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -122.58 128.61 50.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.982 0.42 . . . . 0.0 110.998 178.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.809 HG13 ' CD1' ' A' ' 43' ' ' TRP . 67.9 t -104.07 104.46 16.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.325 179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.711 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 25.0 m -100.68 118.14 36.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.406 -179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.913 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.865 0.364 . . . . 0.0 111.47 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -108.79 146.17 34.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.165 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 36.2 m-85 -130.41 147.57 52.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.663 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.509 ' O ' HG23 ' A' ' 51' ' ' THR . 7.1 ttpm? -104.34 112.36 25.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.727 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.612 ' HB ' HG23 ' B' ' 16' ' ' THR . 67.5 t -95.57 131.58 41.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.156 179.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.701 HG22 ' OD1' ' B' ' 8' ' ' ASN . 57.9 mt -109.82 128.51 65.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.644 -179.26 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.488 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 13.6 mt -107.61 96.21 6.24 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.68 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.711 ' O ' ' HA ' ' A' ' 55' ' ' THR . 3.3 m120 -105.88 111.04 23.54 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.931 -179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.06 -166.01 13.32 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.773 -0.727 . . . . 0.0 111.833 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm -83.76 -55.79 4.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.136 0.493 . . . . 0.0 110.19 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 10.4 p -100.74 -2.7 31.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.316 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.988 HD13 ' HB ' ' A' ' 18' ' ' THR . 20.4 tp -136.83 135.6 38.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.064 0.459 . . . . 0.0 111.352 -179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.463 ' H ' HD12 ' B' ' 12' ' ' LEU . 50.5 mtmt -145.58 147.86 32.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.421 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.532 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.96 -170.82 42.15 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.064 -1.065 . . . . 0.0 113.625 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 51.4 mp0 -138.84 150.02 45.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.806 0.336 . . . . 0.0 110.541 179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.748 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -151.09 169.09 22.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.919 -179.55 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.499 HG22 ' HA ' ' B' ' 4' ' ' LYS . 64.7 p -143.64 122.28 12.55 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -178.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.989 ' HB ' HD13 ' A' ' 12' ' ' LEU . 14.9 t -111.41 146.04 37.87 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.844 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -107.07 117.91 35.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.614 0.245 . . . . 0.0 110.354 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.701 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -148.36 150.55 33.77 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 121.13 0.49 . . . . 0.0 111.817 -179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 38.8 t -50.94 -24.57 2.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.894 -178.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.429 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -160.25 176.35 11.83 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.8 0.333 . . . . 0.0 111.527 179.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.42 -41.69 90.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.493 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.24 -53.09 58.46 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.837 ' O ' HG23 ' B' ' 29' ' ' VAL . 58.2 p -53.35 -46.07 69.38 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 108.963 -0.755 . . . . 0.0 108.963 178.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.839 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -58.2 -51.85 68.02 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 177.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 2.6 tm-20 -53.04 -46.73 68.6 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.509 178.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -64.56 -49.67 70.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.402 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.837 HG23 ' O ' ' B' ' 25' ' ' THR . 66.8 t -54.54 -41.19 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.921 179.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.839 HG23 ' O ' ' B' ' 26' ' ' ALA . 66.7 t -62.24 -45.72 98.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.674 -0.693 . . . . 0.0 109.453 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 10.9 mmtm -49.6 -48.99 48.53 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-O 120.92 0.391 . . . . 0.0 109.964 179.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.403 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 3.5 tp-100 -59.31 -39.67 83.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.198 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.86 ' CG ' HD23 ' A' ' 12' ' ' LEU . 40.0 t80 -51.83 -65.15 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.99 179.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.48 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 28.1 m-85 -67.86 -38.87 83.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.012 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.565 HD22 HG22 ' A' ' 39' ' ' VAL . 25.4 t-20 -50.6 -37.94 42.91 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.535 0.683 . . . . 0.0 109.759 178.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.19 -23.77 17.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 114.717 -1.129 . . . . 0.0 112.399 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.441 ' O ' ' HA3' ' B' ' 41' ' ' GLY . 85.6 m-20 -82.24 -43.47 17.56 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.941 0.401 . . . . 0.0 110.187 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.458 ' HA2' ' CB ' ' A' ' 34' ' ' PHE . . . -13.92 -114.16 0.0 OUTLIER Glycine 0 C--N 1.332 0.343 0 N-CA-C 116.687 1.435 . . . . 0.0 116.687 -179.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.575 HG22 HD22 ' A' ' 35' ' ' ASN . 97.6 t -77.54 -55.65 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -176.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.28 24.88 3.61 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' B' ' 37' ' ' ASN . . . -63.3 141.9 46.61 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.104 -1.046 . . . . 0.0 112.36 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -87.68 103.2 15.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.656 0.265 . . . . 0.0 110.309 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.812 ' CD1' HG13 ' B' ' 54' ' ' VAL . 3.7 m0 -120.8 148.88 43.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.092 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.4 p -118.08 146.95 43.73 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 10.0 t80 -111.57 142.87 43.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.911 0.386 . . . . 0.0 111.667 -179.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -122.98 85.38 2.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.646 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.42 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 12.2 m-20 -46.49 -38.86 9.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.713 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.97 -32.59 15.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.157 0.428 . . . . 0.0 112.157 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 67.7 p -128.19 12.71 6.62 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 16.8 mttp 49.11 34.31 5.71 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.034 0.445 . . . . 0.0 110.606 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 4' ' ' LYS . 85.9 m -118.23 141.63 48.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.486 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.505 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.1 m-85 -113.25 147.55 37.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.122 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -122.6 128.64 50.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.997 0.427 . . . . 0.0 111.069 178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.812 HG13 ' CD1' ' B' ' 43' ' ' TRP . 71.7 t -104.12 104.56 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.282 179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.712 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 25.3 m -100.71 118.11 36.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.422 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.107 -0.949 . . . . 0.0 110.821 -179.809 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.843 0.354 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -101.97 140.87 35.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.11 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.506 ' CD2' ' HB3' ' B' ' 50' ' ' LYS . 21.8 m-85 -124.88 143.69 50.71 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.662 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.676 ' O ' HG23 ' B' ' 51' ' ' THR . 87.8 tttt -109.79 111.75 23.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.547 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.87 HG21 HG21 ' A' ' 30' ' ' VAL . 57.5 t -94.98 134.83 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.102 0.477 . . . . 0.0 110.473 179.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 72.3 mt -107.16 122.73 61.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.865 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.497 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 18.8 mt -101.22 86.35 2.99 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.287 0.565 . . . . 0.0 109.817 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.64 ' O ' ' HA ' ' B' ' 55' ' ' THR . 32.7 t-20 -92.06 100.98 13.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.357 -178.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.0 153.92 16.69 Favored Glycine 0 N--CA 1.453 -0.168 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.009 179.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -54.3 -52.95 59.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.86 0.362 . . . . 0.0 111.616 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.626 ' HB ' HG11 ' B' ' 29' ' ' VAL . 10.4 p -96.64 -9.61 28.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.606 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.81 HD13 ' HB ' ' B' ' 18' ' ' THR . 12.0 tp -134.5 134.79 41.86 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.608 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.546 ' H ' HD12 ' A' ' 12' ' ' LEU . 36.8 mtmm -144.04 142.68 30.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.482 -0.326 . . . . 0.0 110.503 179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.525 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.94 -166.77 35.48 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.27 -0.967 . . . . 0.0 113.265 -179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -147.97 143.76 27.52 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.32 0.581 . . . . 0.0 110.858 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.774 HG23 ' HB ' ' A' ' 5' ' ' VAL . 4.7 t -138.97 169.23 18.17 Favored 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.168 -179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.0 p -143.33 121.3 12.05 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.809 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.1 t -110.85 146.6 36.18 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.459 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -107.63 120.17 41.48 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.711 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -149.22 152.23 35.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.218 0.532 . . . . 0.0 111.904 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.3 t -50.72 -26.08 3.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.749 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.637 ' OD1' HG23 ' A' ' 25' ' ' THR . 58.9 p30 -159.57 175.5 13.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 111.367 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.52 -41.62 81.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.688 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.09 -54.95 29.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.89 ' O ' HG23 ' A' ' 29' ' ' VAL . 41.8 p -51.53 -45.7 63.03 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 178.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.74 -53.06 62.42 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 8.9 tm-20 -52.81 -46.58 67.75 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.37 179.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -62.48 -46.23 89.41 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.033 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.89 HG23 ' O ' ' A' ' 25' ' ' THR . 57.6 t -58.06 -38.51 67.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.015 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.87 HG21 HG21 ' A' ' 5' ' ' VAL . 65.7 t -64.62 -47.81 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.778 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 3.7 mmmp? -49.62 -51.24 38.98 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-O 121.007 0.432 . . . . 0.0 110.096 178.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.417 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 3.3 tp-100 -58.45 -38.58 77.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.02 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.652 ' CD2' HD23 ' B' ' 12' ' ' LEU . 24.4 t80 -51.14 -67.96 0.21 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.012 179.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.459 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 28.6 m-85 -65.09 -37.24 86.87 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.641 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.642 ' ND2' HG22 ' B' ' 39' ' ' VAL . 29.8 t-20 -52.12 -38.51 57.63 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.547 0.689 . . . . 0.0 109.638 178.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -94.23 -25.64 16.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 114.758 -1.11 . . . . 0.0 112.396 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 38' ' ' GLY . 84.8 m-20 -79.22 -42.59 25.63 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.074 0.464 . . . . 0.0 110.042 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -8.51 -115.51 0.0 OUTLIER Glycine 0 CA--C 1.52 0.401 0 CA-C-N 114.499 -1.228 . . . . 0.0 115.896 -179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.643 HG22 ' ND2' ' B' ' 35' ' ' ASN . 95.3 t -80.33 -55.49 8.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 -176.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.75 26.23 2.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -177.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.74 143.49 46.85 Favored Glycine 0 CA--C 1.522 0.494 0 C-N-CA 120.037 -1.078 . . . . 0.0 112.426 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -79.74 96.59 6.3 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.74 0.305 . . . . 0.0 110.295 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.783 ' CH2' ' HD2' ' B' ' 31' ' ' LYS . 6.6 m0 -110.14 134.73 51.9 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -178.591 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.0 p -111.54 141.48 45.06 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 177.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.498 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 19.3 t80 -111.38 144.42 40.61 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.478 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.2 t0 -123.77 81.91 1.96 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.011 178.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.23 -36.97 6.6 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 112.074 -179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.478 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.98 -31.99 14.03 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -178.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.5 p -128.75 12.96 6.36 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.504 ' HB3' ' CD2' ' B' ' 3' ' ' TYR . 3.8 mppt? 49.27 33.84 5.62 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 121.007 0.432 . . . . 0.0 110.707 -179.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.676 HG23 ' O ' ' B' ' 4' ' ' LYS . 88.8 m -117.29 135.22 53.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.281 -179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 2.8 m-85 -108.27 148.69 29.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.962 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -121.28 112.79 19.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.225 0.536 . . . . 0.0 111.914 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.8 t -91.16 107.89 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.999 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.637 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 34.7 m -104.23 119.58 39.27 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.763 -178.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.152 -0.927 . . . . 0.0 110.892 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.4 tpt . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.839 0.352 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -101.89 140.96 35.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.105 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.504 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 21.3 m-85 -124.92 143.64 50.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.705 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.676 ' O ' HG23 ' A' ' 51' ' ' THR . 87.8 tttt -109.73 111.61 23.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.544 -178.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.889 HG21 HG21 ' B' ' 30' ' ' VAL . 57.5 t -94.96 134.91 30.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.141 0.496 . . . . 0.0 110.466 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 72.1 mt -107.24 122.63 61.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.818 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 18.6 mt -101.09 86.26 3.0 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.285 0.564 . . . . 0.0 109.904 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.637 ' O ' ' HA ' ' A' ' 55' ' ' THR . 32.7 t-20 -92.1 101.17 13.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.395 -0.821 . . . . 0.0 112.255 -178.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.23 153.85 16.7 Favored Glycine 0 N--CA 1.453 -0.187 0 C-N-CA 121.005 -0.617 . . . . 0.0 111.97 179.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -54.13 -53.16 57.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 111.561 -179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.619 ' HB ' HG11 ' A' ' 29' ' ' VAL . 10.7 p -96.49 -9.6 29.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.66 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.809 HD13 ' HB ' ' A' ' 18' ' ' THR . 11.8 tp -134.54 134.95 41.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.499 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.542 ' H ' HD12 ' B' ' 12' ' ' LEU . 36.8 mtmm -144.07 142.65 30.76 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.536 179.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.526 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.93 -166.79 35.5 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.234 -0.984 . . . . 0.0 113.162 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -147.93 143.77 27.57 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.244 0.545 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.774 ' OG1' HD11 ' A' ' 12' ' ' LEU . 4.8 t -138.97 169.24 18.15 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.146 -179.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 68.7 p -143.29 121.22 12.02 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.81 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.1 t -110.81 146.53 36.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.35 178.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -107.6 120.15 41.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.706 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -149.23 152.12 35.43 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 121.249 0.547 . . . . 0.0 111.891 -179.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 39.1 t -50.55 -26.12 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.809 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.631 ' OD1' HG23 ' B' ' 25' ' ' THR . 58.9 p30 -159.54 175.5 13.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.946 0.403 . . . . 0.0 111.449 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.46 -41.69 81.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.754 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.97 -54.93 30.66 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.892 ' O ' HG23 ' B' ' 29' ' ' VAL . 41.7 p -51.52 -45.72 63.01 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.657 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.78 -53.11 61.75 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 178.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 8.9 tm-20 -52.75 -46.49 67.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.414 179.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -62.62 -46.26 89.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.931 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.892 HG23 ' O ' ' B' ' 25' ' ' THR . 57.6 t -58.02 -38.57 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.016 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.889 HG21 HG21 ' B' ' 5' ' ' VAL . 66.0 t -64.6 -47.79 87.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 178.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.783 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 3.7 mmmp? -49.62 -51.4 37.89 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 121.022 0.439 . . . . 0.0 110.067 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.419 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 3.3 tp-100 -58.41 -38.39 77.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.078 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.653 ' CD2' HD23 ' A' ' 12' ' ' LEU . 24.5 t80 -51.34 -67.89 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.928 179.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.459 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 28.5 m-85 -65.07 -37.25 86.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.652 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.643 ' ND2' HG22 ' A' ' 39' ' ' VAL . 29.8 t-20 -52.06 -38.58 57.57 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.512 0.672 . . . . 0.0 109.546 178.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -94.3 -25.45 17.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.781 -1.099 . . . . 0.0 112.452 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' B' ' 38' ' ' GLY . 84.7 m-20 -79.33 -42.5 25.56 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.099 0.476 . . . . 0.0 110.087 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -8.68 -115.25 0.0 OUTLIER Glycine 0 CA--C 1.52 0.378 0 CA-C-N 114.506 -1.224 . . . . 0.0 116.029 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.642 HG22 ' ND2' ' A' ' 35' ' ' ASN . 96.6 t -80.52 -55.48 8.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 115.154 1.538 . . . . 0.0 115.154 -176.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -92.73 26.1 2.85 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 113.477 0.917 . . . . 0.0 113.477 -177.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.63 143.29 46.67 Favored Glycine 0 CA--C 1.522 0.511 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.413 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -79.51 96.54 6.13 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.747 0.308 . . . . 0.0 110.371 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.778 ' CH2' ' HD2' ' A' ' 31' ' ' LYS . 6.7 m0 -110.16 134.79 51.84 Favored 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.536 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.403 ' OG1' ' OG1' ' B' ' 53' ' ' THR . 68.6 p -111.52 141.65 44.81 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 177.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.501 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 19.2 t80 -111.52 144.35 40.89 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.479 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.3 t0 -123.6 81.77 1.94 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.065 178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.09 -37.07 6.37 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 112.113 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.479 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.84 -32.07 13.37 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.6 p -128.64 12.77 6.39 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.506 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 3.8 mppt? 49.22 34.08 5.75 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.063 0.459 . . . . 0.0 110.592 -179.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 4' ' ' LYS . 88.5 m -117.34 135.28 53.96 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.269 -179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.501 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 2.8 m-85 -108.38 148.76 29.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.911 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.403 ' OG1' ' OG1' ' B' ' 44' ' ' THR . 3.1 p -121.26 112.64 18.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.247 0.546 . . . . 0.0 111.965 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.7 t -91.08 107.88 19.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.975 178.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.64 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 35.3 m -104.22 119.71 39.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.668 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.946 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.1 mtp . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.875 0.369 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -107.75 145.22 33.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.155 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.44 ' CE2' ' HD2' ' B' ' 50' ' ' LYS . 2.6 m-85 -128.95 148.3 50.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.842 0.353 . . . . 0.0 111.007 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.788 ' O ' HG23 ' B' ' 51' ' ' THR . 4.8 ttmp? -106.81 109.2 21.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.643 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.712 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.6 t -94.54 129.21 45.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.264 0.554 . . . . 0.0 111.344 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.42 HG13 ' CG2' ' B' ' 51' ' ' THR . 76.5 mt -100.8 116.33 44.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.361 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.452 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.8 mt -95.06 85.48 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.792 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.618 ' O ' ' HA ' ' B' ' 55' ' ' THR . 33.7 t-20 -96.8 107.25 19.7 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.736 -178.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.79 -165.92 14.58 Favored Glycine 0 C--N 1.33 0.211 0 C-N-CA 120.359 -0.924 . . . . 0.0 112.621 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -75.35 -58.12 3.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.851 0.358 . . . . 0.0 111.13 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.422 ' OG1' HG13 ' B' ' 29' ' ' VAL . 11.5 p -109.66 10.32 24.91 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.228 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.014 HD13 ' HB ' ' B' ' 18' ' ' THR . 24.4 tp -138.44 138.93 38.61 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.061 0.458 . . . . 0.0 111.457 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.503 ' H ' HD12 ' A' ' 12' ' ' LEU . 36.0 mtmm -145.29 145.43 31.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.473 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.46 -173.42 43.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.151 -1.023 . . . . 0.0 113.305 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -141.25 136.67 31.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.9 0.381 . . . . 0.0 110.459 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.787 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -134.9 167.66 20.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.103 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.462 HG22 ' HA ' ' A' ' 4' ' ' LYS . 58.6 p -143.54 118.68 10.11 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -178.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.006 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.4 t -107.87 146.28 32.54 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.708 178.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -105.3 116.0 31.21 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.62 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -146.81 149.45 33.35 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.188 0.518 . . . . 0.0 111.956 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.12 -36.51 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.15 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.659 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -145.15 171.99 13.74 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.856 0.36 . . . . 0.0 111.282 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.8 86.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.652 -179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.51 -54.23 43.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.086 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.888 ' O ' HG23 ' A' ' 29' ' ' VAL . 75.6 p -52.0 -46.11 64.79 Favored 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.665 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.33 -53.03 62.86 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.212 178.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -51.35 -46.89 62.85 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.218 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -63.39 -46.9 84.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.9 179.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 25' ' ' THR . 92.5 t -55.1 -43.43 70.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.133 179.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 26' ' ' ALA . 40.9 t -64.53 -47.35 89.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.44 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 57.9 mtpt -51.76 -46.13 63.98 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.061 178.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.85 -38.65 82.7 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.948 ' CG ' HD23 ' B' ' 12' ' ' LEU . 60.8 t80 -52.59 -65.52 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.927 178.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.445 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 27.7 m-85 -65.45 -38.22 89.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.565 179.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.445 ' ND2' HG21 ' B' ' 39' ' ' VAL . 31.6 t-20 -52.04 -38.43 56.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.487 0.66 . . . . 0.0 109.949 178.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.456 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 58.3 m-20 -94.04 -23.35 18.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.865 -1.062 . . . . 0.0 112.333 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.497 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 85.8 m-20 -82.36 -46.36 13.67 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.534 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -9.23 -111.55 0.0 OUTLIER Glycine 0 CA--C 1.521 0.449 0 N-CA-C 115.631 1.013 . . . . 0.0 115.631 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.644 HG12 ' O ' ' A' ' 39' ' ' VAL . 19.7 t -110.39 5.33 8.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -176.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -125.15 10.79 8.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 118.568 0.622 . . . . 0.0 111.873 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.49 171.48 54.1 Favored Glycine 0 CA--C 1.519 0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 113.181 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -97.72 102.21 13.92 Favored 'General case' 0 N--CA 1.462 0.129 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.62 ' HH2' HG12 ' B' ' 30' ' ' VAL . 9.1 m95 -97.9 119.68 36.94 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.264 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.9 p -109.54 137.77 46.89 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.5 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 18.5 t80 -111.22 144.35 40.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.076 0.465 . . . . 0.0 111.946 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -123.58 81.7 1.93 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.283 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.92 -35.3 10.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.718 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.94 -33.45 17.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.972 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.9 p -128.29 12.25 6.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.681 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HD2' ' CE2' ' B' ' 3' ' ' TYR . 20.4 mtmt 52.81 31.69 11.01 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.802 0.334 . . . . 0.0 110.728 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.787 HG23 ' O ' ' B' ' 4' ' ' LYS . 93.6 m -117.49 140.52 49.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.088 0.471 . . . . 0.0 112.086 -178.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.8 m-85 -110.33 142.45 41.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.068 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -117.45 101.56 8.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.186 0.517 . . . . 0.0 111.726 179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.0 t -82.82 106.96 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.82 179.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.618 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 18.9 m -97.78 111.24 23.61 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.361 -179.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.456 ' HG2' ' HB2' ' A' ' 36' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.298 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 82.1 mtp . . . . . 0 N--CA 1.485 1.303 0 CA-C-O 120.917 0.389 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -107.87 145.24 33.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.099 179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.443 ' CE2' ' HD2' ' A' ' 50' ' ' LYS . 2.5 m-85 -128.87 148.26 50.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.836 0.35 . . . . 0.0 111.098 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.787 ' O ' HG23 ' A' ' 51' ' ' THR . 4.8 ttmp? -106.68 109.24 21.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.755 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.716 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.4 t -94.7 129.26 45.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.287 0.565 . . . . 0.0 111.269 -179.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.423 HG13 ' CG2' ' A' ' 51' ' ' THR . 76.4 mt -100.81 116.39 44.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.244 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.7 mt -94.99 85.3 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.909 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.618 ' O ' ' HA ' ' A' ' 55' ' ' THR . 33.7 t-20 -96.73 107.18 19.6 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.774 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.74 -165.94 14.61 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.394 -0.908 . . . . 0.0 112.71 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -75.39 -58.14 3.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.822 0.344 . . . . 0.0 111.066 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.424 ' OG1' HG13 ' A' ' 29' ' ' VAL . 11.4 p -109.63 10.22 24.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 1.006 HD13 ' HB ' ' A' ' 18' ' ' THR . 24.1 tp -138.41 138.8 38.56 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 121.069 0.461 . . . . 0.0 111.464 -179.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.5 ' H ' HD12 ' B' ' 12' ' ' LEU . 36.0 mtmm -145.29 145.37 31.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.463 179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.488 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.45 -173.49 43.87 Favored Glycine 0 C--N 1.331 0.265 0 C-N-CA 120.109 -1.043 . . . . 0.0 113.24 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -141.11 136.63 32.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.853 0.359 . . . . 0.0 110.515 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.785 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -134.76 167.66 20.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.079 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.461 HG22 ' HA ' ' B' ' 4' ' ' LYS . 60.0 p -143.59 118.67 10.07 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 1.014 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.4 t -107.81 146.31 32.41 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.588 178.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -105.4 116.17 31.49 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -146.98 149.42 33.12 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.231 0.539 . . . . 0.0 111.911 -179.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.14 -36.47 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.366 -0.833 . . . . 0.0 112.129 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.662 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -145.25 172.0 13.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.8 0.333 . . . . 0.0 111.199 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.19 -42.77 86.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.582 -179.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.58 -54.26 42.31 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.889 ' O ' HG23 ' B' ' 29' ' ' VAL . 75.8 p -52.0 -46.01 64.74 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.667 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.28 -52.97 63.39 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.353 177.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -51.39 -47.08 63.02 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.15 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -63.12 -46.91 85.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.95 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.889 HG23 ' O ' ' B' ' 25' ' ' THR . 93.1 t -55.25 -43.16 69.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.307 179.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.667 HG23 ' O ' ' B' ' 26' ' ' ALA . 41.2 t -64.64 -47.37 89.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 58.1 mtpt -51.83 -46.05 64.18 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.136 178.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.79 -38.72 82.71 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.947 ' CG ' HD23 ' A' ' 12' ' ' LEU . 60.6 t80 -52.45 -65.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.913 178.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.445 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 27.8 m-85 -65.5 -38.23 89.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.584 179.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.435 ' ND2' HG21 ' A' ' 39' ' ' VAL . 31.6 t-20 -52.02 -38.48 57.04 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.431 0.634 . . . . 0.0 109.797 178.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.465 ' HB2' ' HG2' ' B' ' 56' ' ' GLU . 58.0 m-20 -94.04 -23.37 18.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.91 -1.041 . . . . 0.0 112.3 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.495 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 85.6 m-20 -82.19 -46.45 13.74 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.964 0.412 . . . . 0.0 110.557 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -9.26 -111.72 0.0 OUTLIER Glycine 0 CA--C 1.522 0.472 0 N-CA-C 115.709 1.043 . . . . 0.0 115.709 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.632 HG12 ' O ' ' B' ' 39' ' ' VAL . 19.0 t -110.19 5.4 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -176.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -125.27 11.03 8.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 118.651 0.659 . . . . 0.0 111.83 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.91 171.59 53.87 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.555 -0.831 . . . . 0.0 113.197 -179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -97.76 102.09 13.76 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.619 ' HH2' HG12 ' A' ' 30' ' ' VAL . 9.1 m95 -97.87 119.43 36.46 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -178.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 75.1 p -109.37 137.86 46.61 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.5 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 18.4 t80 -111.25 144.25 40.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.088 0.47 . . . . 0.0 111.862 -178.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -123.5 81.65 1.92 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.293 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.8 -35.46 10.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.712 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.85 -33.53 17.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.933 -179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.9 p -128.23 12.28 6.54 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.44 ' HD2' ' CE2' ' A' ' 3' ' ' TYR . 20.3 mtmt 52.68 31.79 10.88 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.787 0.327 . . . . 0.0 110.686 -179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.788 HG23 ' O ' ' A' ' 4' ' ' LYS . 94.1 m -117.59 140.5 49.55 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.208 0.528 . . . . 0.0 111.976 -178.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.5 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.8 m-85 -110.31 142.42 41.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.137 179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -117.46 101.6 8.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.133 0.492 . . . . 0.0 111.801 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.2 t -82.8 106.83 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.874 179.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.618 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 18.0 m -97.52 111.16 23.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.482 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.465 ' HG2' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.282 -0.866 . . . . 0.0 110.305 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.848 0.356 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -106.93 139.86 40.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.594 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.479 ' CE2' ' HE2' ' B' ' 50' ' ' LYS . 10.1 m-85 -126.82 152.71 46.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.974 0.416 . . . . 0.0 111.032 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' B' ' 51' ' ' THR . 17.6 tppt? -98.59 128.95 45.09 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.569 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.732 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.9 t -119.04 119.02 59.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.492 179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.559 ' HB ' HG22 ' B' ' 53' ' ' THR . 63.4 mt -102.72 124.51 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.131 -179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.468 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 17.4 mt -106.21 94.57 5.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.39 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.617 ' O ' ' HA ' ' B' ' 55' ' ' THR . 81.9 m-20 -103.29 108.85 20.24 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.34 -0.391 . . . . 0.0 112.027 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.05 -165.64 14.36 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.234 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -78.28 -57.51 3.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.887 0.375 . . . . 0.0 111.001 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.55 ' OG1' HG13 ' B' ' 29' ' ' VAL . 7.7 p -106.61 7.25 30.57 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.572 -178.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.986 HD13 ' HB ' ' B' ' 18' ' ' THR . 22.4 tp -136.2 135.45 39.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.047 0.451 . . . . 0.0 111.45 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.439 ' H ' HD12 ' A' ' 12' ' ' LEU . 46.2 mmtm -137.9 137.9 38.5 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.033 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.455 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -173.84 -176.12 42.04 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 119.821 -1.18 . . . . 0.0 113.641 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -143.33 141.85 31.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.886 0.374 . . . . 0.0 110.497 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.732 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -141.64 168.87 18.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.01 -179.437 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.544 ' O ' HD12 ' B' ' 12' ' ' LEU . 70.2 p -143.74 122.85 12.88 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -179.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.988 ' HB ' HD13 ' B' ' 12' ' ' LEU . 10.8 t -109.45 146.36 34.65 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.144 179.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -106.1 117.17 33.35 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -148.56 149.57 31.81 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.212 0.529 . . . . 0.0 111.954 -179.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -51.18 -36.51 16.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.504 -0.771 . . . . 0.0 112.141 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.562 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -146.18 172.68 13.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.818 0.342 . . . . 0.0 111.341 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.03 -43.17 86.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.572 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.22 -54.74 36.63 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.852 ' O ' HG23 ' A' ' 29' ' ' VAL . 77.6 p -52.4 -45.8 66.04 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.28 -53.39 58.84 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.09 178.006 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -49.37 -48.33 46.93 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.277 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.35 -46.71 87.44 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.077 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 25' ' ' THR . 89.0 t -55.2 -43.38 70.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.351 179.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.613 HG12 ' CH2' ' B' ' 43' ' ' TRP . 60.5 t -65.87 -49.31 77.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HA ' ' CH2' ' B' ' 43' ' ' TRP . 50.4 mtpt -53.88 -43.81 69.93 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.443 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.93 -37.8 83.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.431 0.634 . . . . 0.0 109.368 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.935 ' CG ' HD23 ' B' ' 12' ' ' LEU . 53.5 t80 -52.99 -64.29 0.87 Allowed 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.851 179.064 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -67.73 -39.69 84.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.066 179.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.699 ' ND2' HG22 ' B' ' 39' ' ' VAL . 31.0 t-20 -51.31 -39.01 56.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.577 0.703 . . . . 0.0 109.756 178.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.409 ' CB ' ' OE2' ' A' ' 56' ' ' GLU . 1.3 m-20 -94.68 -25.59 16.66 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 114.637 -1.165 . . . . 0.0 112.727 -179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.505 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.0 m-20 -77.21 -39.24 49.4 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.983 0.42 . . . . 0.0 110.091 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.39 -116.88 0.0 OUTLIER Glycine 0 CA--C 1.521 0.466 0 CA-C-N 114.614 -1.175 . . . . 0.0 115.725 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.705 HG22 ' ND2' ' B' ' 35' ' ' ASN . 60.4 t -83.54 -55.64 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 115.655 1.724 . . . . 0.0 115.655 -175.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -88.8 25.7 1.7 Allowed 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -176.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.19 149.1 51.68 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 119.918 -1.134 . . . . 0.0 112.052 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -78.04 91.65 4.28 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.886 0.343 . . . . 0.0 110.274 179.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.611 ' CH2' HG12 ' B' ' 30' ' ' VAL . 8.6 m0 -101.57 125.04 48.16 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -178.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.6 p -107.82 139.95 41.65 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 177.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 13.0 t80 -112.67 141.04 46.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.111 0.481 . . . . 0.0 111.904 -178.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.402 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.9 t0 -123.61 82.92 2.07 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.267 179.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.05 -37.09 19.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.805 0.336 . . . . 0.0 111.339 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -54.29 -32.49 56.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.54 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.8 p -115.5 7.76 15.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.672 -179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.481 ' HE2' ' CE2' ' B' ' 3' ' ' TYR . 11.9 mmmm 49.28 33.2 4.98 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.77 0.319 . . . . 0.0 110.715 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 90.9 m -125.18 153.55 42.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.147 0.499 . . . . 0.0 111.908 -178.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 1.9 m-85 -121.68 143.96 49.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.901 179.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.57 HG22 ' HB ' ' B' ' 6' ' ' ILE . 3.0 p -122.42 128.53 51.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.118 0.485 . . . . 0.0 111.577 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.9 t -103.68 104.17 16.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.678 179.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.617 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 26.5 m -95.43 112.2 23.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.988 -178.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' OE2' ' CB ' ' A' ' 36' ' ' ASP . 16.8 tp10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.111 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.726 0.298 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -106.89 139.88 40.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.607 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.481 ' CE2' ' HE2' ' A' ' 50' ' ' LYS . 10.0 m-85 -126.75 152.75 46.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.973 0.416 . . . . 0.0 111.086 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 51' ' ' THR . 17.6 tppt? -98.64 129.13 45.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.598 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.727 ' HB ' HG23 ' B' ' 16' ' ' THR . 62.1 t -119.17 118.99 59.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.481 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.57 ' HB ' HG22 ' A' ' 53' ' ' THR . 63.8 mt -102.62 124.37 56.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.283 -179.539 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 17.5 mt -106.09 94.62 5.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.386 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.617 ' O ' ' HA ' ' A' ' 55' ' ' THR . 81.9 m-20 -103.42 108.96 20.41 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.966 -179.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -115.92 -165.69 14.44 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.282 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -78.37 -57.37 3.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.851 0.358 . . . . 0.0 111.083 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.551 ' OG1' HG13 ' A' ' 29' ' ' VAL . 7.7 p -106.59 7.27 30.63 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.561 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.988 HD13 ' HB ' ' A' ' 18' ' ' THR . 22.8 tp -136.19 135.49 39.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.084 0.468 . . . . 0.0 111.488 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.437 ' H ' HD12 ' B' ' 12' ' ' LEU . 46.2 mmtm -137.92 137.88 38.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.015 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.452 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -173.86 -176.16 42.09 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 119.932 -1.128 . . . . 0.0 113.691 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -143.24 141.94 31.22 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.881 0.372 . . . . 0.0 110.488 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.727 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -141.7 168.84 18.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.987 -179.454 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.55 ' O ' HD12 ' A' ' 12' ' ' LEU . 70.7 p -143.78 122.97 12.95 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.986 ' HB ' HD13 ' A' ' 12' ' ' LEU . 10.7 t -109.55 146.26 34.96 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.102 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -106.0 117.15 33.29 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.625 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -148.48 149.62 31.98 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.233 0.54 . . . . 0.0 111.974 -179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -51.09 -36.56 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.166 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.564 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -146.21 172.7 13.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.818 0.342 . . . . 0.0 111.346 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.1 -43.1 86.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.528 -179.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.11 -54.86 35.23 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.854 ' O ' HG23 ' B' ' 29' ' ' VAL . 77.1 p -52.42 -45.85 66.12 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.625 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -59.18 -53.34 59.38 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.194 177.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -49.37 -48.35 46.93 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.223 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.42 -46.64 87.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.121 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.854 HG23 ' O ' ' B' ' 25' ' ' THR . 89.0 t -55.29 -43.42 71.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.264 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.611 HG12 ' CH2' ' A' ' 43' ' ' TRP . 61.2 t -65.87 -49.28 78.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.437 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . 50.4 mtpt -53.7 -43.93 69.38 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.46 178.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.97 -37.87 83.93 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 178.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.937 ' CG ' HD23 ' A' ' 12' ' ' LEU . 53.2 t80 -52.83 -64.41 0.83 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.897 178.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -67.59 -39.82 84.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.132 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.705 ' ND2' HG22 ' A' ' 39' ' ' VAL . 30.9 t-20 -51.32 -38.92 55.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.596 0.712 . . . . 0.0 109.759 178.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.41 ' CB ' ' OE2' ' B' ' 56' ' ' GLU . 1.3 m-20 -94.67 -25.69 16.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.626 -1.17 . . . . 0.0 112.714 -179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.498 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.0 m-20 -77.13 -39.27 49.92 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.03 0.443 . . . . 0.0 110.213 179.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.35 -116.77 0.0 OUTLIER Glycine 0 CA--C 1.521 0.461 0 CA-C-N 114.504 -1.226 . . . . 0.0 115.829 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.699 HG22 ' ND2' ' A' ' 35' ' ' ASN . 61.7 t -83.79 -55.57 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 115.57 1.693 . . . . 0.0 115.57 -175.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -88.73 25.71 1.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.42 149.2 51.61 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 119.722 -1.227 . . . . 0.0 112.044 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -78.03 91.64 4.28 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.798 0.299 . . . . 0.0 110.353 179.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.613 ' CH2' HG12 ' A' ' 30' ' ' VAL . 8.7 m0 -101.53 125.12 48.13 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 72.2 p -107.77 139.98 41.52 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 177.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 12.9 t80 -112.7 141.07 46.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.042 0.449 . . . . 0.0 111.944 -178.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.401 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.9 t0 -123.66 82.98 2.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.158 179.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.99 -37.16 19.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.37 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.401 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -54.31 -32.48 56.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.566 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 77.2 p -115.44 7.67 15.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.678 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.479 ' HE2' ' CE2' ' A' ' 3' ' ' TYR . 11.9 mmmm 49.35 33.13 5.04 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.769 0.319 . . . . 0.0 110.751 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 91.0 m -125.18 153.51 42.96 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.173 0.511 . . . . 0.0 111.824 -178.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 2.0 m-85 -121.66 143.91 49.06 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.917 179.346 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.559 HG22 ' HB ' ' A' ' 6' ' ' ILE . 3.0 p -122.36 128.52 51.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.116 0.484 . . . . 0.0 111.607 179.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.6 t -103.61 104.14 16.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.759 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.617 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 26.7 m -95.41 112.28 24.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.983 0.421 . . . . 0.0 111.959 -178.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.41 ' OE2' ' CB ' ' B' ' 36' ' ' ASP . 16.7 tp10 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.114 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.734 0.302 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -105.47 139.6 39.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.426 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.416 ' CE2' ' HE3' ' B' ' 50' ' ' LYS . 23.0 m-85 -123.59 145.06 49.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.762 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.775 ' O ' HG23 ' B' ' 51' ' ' THR . 53.6 tptt -102.08 103.59 14.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.169 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.645 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.1 t -94.39 124.01 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.328 0.585 . . . . 0.0 111.502 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.466 ' CD1' HG21 ' B' ' 51' ' ' THR . 73.4 mt -101.9 129.21 53.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.776 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mt -108.95 83.47 1.76 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.302 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.545 ' O ' ' HA ' ' B' ' 55' ' ' THR . 79.4 m-20 -90.23 111.06 22.1 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 112.224 0.453 . . . . 0.0 112.224 -178.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.07 -168.95 14.89 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.127 179.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.476 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.3 mtmp? -82.08 -58.11 3.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.99 0.424 . . . . 0.0 110.435 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.432 ' OG1' HG13 ' B' ' 29' ' ' VAL . 6.8 p -100.22 0.04 39.6 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.641 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.989 HD13 ' HB ' ' B' ' 18' ' ' THR . 16.3 tp -137.53 137.67 38.85 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.201 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.534 ' H ' HD12 ' A' ' 12' ' ' LEU . 35.8 mtmm -144.97 144.74 31.21 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.902 179.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.543 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.4 -167.24 37.13 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 119.816 -1.183 . . . . 0.0 113.323 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.483 ' HB3' ' HE3' ' A' ' 4' ' ' LYS . 40.0 mt-10 -148.59 155.3 40.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 110.63 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.743 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -150.96 169.07 22.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.814 -179.67 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 4' ' ' LYS . 54.8 p -143.08 118.65 10.39 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.988 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.9 t -106.18 143.22 34.62 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.571 178.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -104.28 114.91 29.47 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.478 -0.193 . . . . 0.0 110.478 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.16 152.63 36.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.349 0.595 . . . . 0.0 112.145 -179.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.5 t -51.06 -37.63 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.194 -0.912 . . . . 0.0 112.088 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.677 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -143.84 169.25 18.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.062 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.555 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -56.56 -41.72 77.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.569 -179.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.01 -54.71 34.06 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.845 ' O ' HG23 ' A' ' 29' ' ' VAL . 74.4 p -52.47 -46.22 66.43 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 178.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.667 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -60.14 -52.13 66.63 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.136 178.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.438 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 89.3 tt0 -52.76 -48.74 66.57 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.712 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -57.67 -38.62 75.44 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.517 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.845 HG23 ' O ' ' A' ' 25' ' ' THR . 91.0 t -59.71 -37.27 70.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.407 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.522 HG12 ' HH2' ' B' ' 43' ' ' TRP . 20.6 t -66.21 -48.9 79.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.479 178.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.448 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 1.1 mptm? -48.05 -42.84 29.58 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.113 0.482 . . . . 0.0 110.131 178.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -69.42 -37.86 77.64 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.91 ' CG ' HD23 ' B' ' 12' ' ' LEU . 47.3 t80 -55.26 -56.77 16.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.242 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.467 ' CE2' HG12 ' A' ' 30' ' ' VAL . 25.1 m-85 -72.62 -42.27 64.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.575 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.569 HD22 HG21 ' B' ' 39' ' ' VAL . 14.8 t-20 -48.88 -38.16 21.76 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.502 0.667 . . . . 0.0 110.11 178.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.52 -23.32 17.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.958 -1.019 . . . . 0.0 112.596 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.458 ' O ' ' C ' ' A' ' 38' ' ' GLY . 88.1 m-20 -78.34 -46.67 19.47 Favored 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -3.98 -121.88 0.0 OUTLIER Glycine 0 C--N 1.333 0.373 0 CA-C-N 114.734 -1.121 . . . . 0.0 115.657 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.669 HG12 ' O ' ' A' ' 39' ' ' VAL . 43.5 t -111.66 4.08 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 -176.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -125.0 13.75 8.45 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.872 -0.518 . . . . 0.0 112.215 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.45 178.62 51.6 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.911 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -97.28 100.97 12.42 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.818 0.342 . . . . 0.0 110.313 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.533 ' HH2' HG12 ' B' ' 30' ' ' VAL . 7.8 m0 -97.24 118.61 34.06 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -178.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.3 p -104.25 132.2 50.75 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CD1' ' CD1' ' A' ' 52' ' ' PHE . 9.1 t80 -107.67 143.97 35.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 0.0 111.393 -179.225 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -122.96 83.67 2.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.429 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 12.8 m-20 -47.62 -37.88 13.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.61 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.59 -32.12 12.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.139 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.4 p -128.24 15.12 6.72 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 -179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HE3' ' CE2' ' B' ' 3' ' ' TYR . 31.8 mmmt 49.06 34.13 5.42 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.979 0.418 . . . . 0.0 110.056 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.779 HG23 ' O ' ' B' ' 4' ' ' LYS . 86.7 m -113.19 141.7 46.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.836 -178.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.552 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 96.7 m-85 -106.24 120.48 41.95 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.39 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -106.05 127.32 53.09 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.228 0.537 . . . . 0.0 111.624 179.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.6 t -113.97 112.77 41.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.206 -0.906 . . . . 0.0 109.488 179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.548 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 10.0 m -99.67 113.88 26.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.023 0.44 . . . . 0.0 111.549 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.224 -0.893 . . . . 0.0 111.127 179.77 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.925 0.393 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -105.54 139.47 40.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.38 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.413 ' CE2' ' HE3' ' A' ' 50' ' ' LYS . 22.5 m-85 -123.44 145.08 49.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.901 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.779 ' O ' HG23 ' A' ' 51' ' ' THR . 53.6 tptt -102.22 103.63 14.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.084 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.643 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.5 t -94.27 124.05 46.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.292 0.567 . . . . 0.0 111.579 -179.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.464 ' CD1' HG21 ' A' ' 51' ' ' THR . 73.4 mt -101.97 129.2 53.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.728 179.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mt -108.92 83.56 1.78 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.355 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.548 ' O ' ' HA ' ' A' ' 55' ' ' THR . 79.4 m-20 -90.31 111.17 22.27 Favored 'General case' 0 N--CA 1.462 0.161 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -117.03 -168.93 14.89 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.147 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.475 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.3 mtmp? -82.14 -58.05 3.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.004 0.431 . . . . 0.0 110.518 179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.428 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 6.9 p -100.2 0.0 39.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.655 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.988 HD13 ' HB ' ' A' ' 18' ' ' THR . 16.3 tp -137.48 137.73 38.99 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.537 ' H ' HD12 ' B' ' 12' ' ' LEU . 35.8 mtmm -145.04 144.68 31.12 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.911 179.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.536 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.34 -167.3 37.26 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 119.868 -1.158 . . . . 0.0 113.347 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.472 ' HB3' ' HE3' ' B' ' 4' ' ' LYS . 40.1 mt-10 -148.54 155.36 41.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.033 0.444 . . . . 0.0 110.557 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.735 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -151.09 169.08 22.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.692 -179.717 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.486 HG22 ' HA ' ' B' ' 4' ' ' LYS . 56.5 p -143.01 118.55 10.37 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -178.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.989 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.9 t -106.12 143.21 34.57 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.646 178.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -104.25 114.86 29.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.508 0.194 . . . . 0.0 110.537 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -149.09 152.61 36.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.387 0.613 . . . . 0.0 112.169 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 20.7 t -51.09 -37.57 17.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.2 -0.909 . . . . 0.0 112.029 -178.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.679 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -143.92 169.28 18.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.837 0.351 . . . . 0.0 111.137 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.552 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -56.58 -41.76 77.52 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.632 -179.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.93 -54.57 36.53 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.846 ' O ' HG23 ' B' ' 29' ' ' VAL . 75.4 p -52.51 -46.08 66.51 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -60.33 -52.06 66.88 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.44 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 89.3 tt0 -52.69 -48.71 66.36 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -57.71 -38.74 75.78 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.48 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.846 HG23 ' O ' ' B' ' 25' ' ' THR . 90.6 t -59.66 -37.22 69.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.37 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.533 HG12 ' HH2' ' A' ' 43' ' ' TRP . 20.5 t -66.17 -48.9 79.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.45 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 1.1 mptm? -48.13 -42.8 30.24 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.954 0.407 . . . . 0.0 110.068 178.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -69.41 -37.76 77.62 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 178.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.909 ' CG ' HD23 ' A' ' 12' ' ' LEU . 47.0 t80 -55.19 -56.91 14.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.199 179.144 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.464 ' CE2' HG12 ' B' ' 30' ' ' VAL . 25.0 m-85 -72.65 -42.25 64.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.595 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.57 HD22 HG21 ' A' ' 39' ' ' VAL . 14.8 t-20 -48.84 -38.16 21.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.392 0.615 . . . . 0.0 110.031 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -94.62 -23.28 17.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.93 -1.032 . . . . 0.0 112.572 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.462 ' O ' ' C ' ' B' ' 38' ' ' GLY . 88.0 m-20 -78.49 -46.39 19.75 Favored 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.462 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.11 -121.82 0.0 OUTLIER Glycine 0 C--N 1.333 0.373 0 CA-C-N 114.773 -1.103 . . . . 0.0 115.704 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.664 HG12 ' O ' ' B' ' 39' ' ' VAL . 43.7 t -111.75 4.11 8.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 113.854 1.057 . . . . 0.0 113.854 -176.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -125.07 13.71 8.41 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 121.849 -0.532 . . . . 0.0 112.13 -179.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.41 178.68 51.64 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.978 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -97.35 101.06 12.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.867 0.365 . . . . 0.0 110.233 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.522 ' HH2' HG12 ' A' ' 30' ' ' VAL . 7.9 m0 -97.42 118.65 34.37 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -178.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 60.0 p -104.3 132.17 50.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.56 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.515 ' CD1' ' CD1' ' B' ' 52' ' ' PHE . 9.2 t80 -107.66 144.13 35.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.902 0.382 . . . . 0.0 111.239 -179.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -123.11 83.68 2.16 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 12.9 m-20 -47.77 -37.71 14.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.556 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.74 -32.0 12.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.143 -178.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 71.0 p -128.28 15.07 6.7 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.416 ' HE3' ' CE2' ' A' ' 3' ' ' TYR . 31.8 mmmt 48.92 34.25 5.28 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.072 0.463 . . . . 0.0 110.039 -179.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.775 HG23 ' O ' ' A' ' 4' ' ' LYS . 87.5 m -113.22 141.69 46.68 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.799 -178.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.555 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 96.8 m-85 -106.16 120.35 41.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.487 179.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -106.07 127.3 53.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.309 0.576 . . . . 0.0 111.688 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.9 t -113.85 112.71 41.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.515 179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 10.3 m -99.67 113.88 26.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.999 0.428 . . . . 0.0 111.574 -178.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.176 -0.916 . . . . 0.0 111.071 179.797 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.401 ' HG2' ' N ' ' A' ' 2' ' ' GLN . 27.7 ttt . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.83 0.347 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.401 ' N ' ' HG2' ' A' ' 1' ' ' MET . 8.3 tt0 -106.0 144.0 33.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.285 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -132.38 148.43 52.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.775 0.322 . . . . 0.0 110.86 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.496 ' NZ ' HG21 ' B' ' 51' ' ' THR . 28.9 ttpp -106.99 155.13 20.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.916 179.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.85 ' HB ' HG23 ' A' ' 16' ' ' THR . 55.0 t -137.2 128.18 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.29 0.567 . . . . 0.0 111.407 -179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.494 ' HB ' HG22 ' B' ' 53' ' ' THR . 70.9 mt -94.98 113.86 30.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.275 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.46 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.4 mt -94.33 85.31 4.57 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.628 ' O ' ' HA ' ' B' ' 55' ' ' THR . 30.8 t-20 -95.2 106.96 19.03 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.531 -177.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.488 ' HA2' ' HG2' ' B' ' 56' ' ' GLU . . . -115.18 -170.29 16.23 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.266 -0.969 . . . . 0.0 112.373 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' A' ' 10' ' ' LYS . 5.4 mtpm? -76.26 -56.2 4.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.042 0.449 . . . . 0.0 110.452 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.455 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 4.1 p -107.36 6.84 28.74 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.152 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.014 HD13 ' HB ' ' B' ' 18' ' ' THR . 22.8 tp -138.39 138.55 38.34 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.185 0.517 . . . . 0.0 111.474 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.511 ' H ' HD12 ' A' ' 12' ' ' LEU . 10.4 mtmp? -145.25 146.11 31.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.392 179.655 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.472 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 177.32 -166.47 37.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.206 -0.997 . . . . 0.0 113.281 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -146.76 156.65 43.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.822 0.344 . . . . 0.0 110.63 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.85 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -151.12 169.17 22.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.541 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.452 ' O ' HD12 ' B' ' 12' ' ' LEU . 53.1 p -143.11 118.27 10.14 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.018 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.8 t -109.04 146.04 34.6 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.592 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -105.85 115.72 30.72 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.143 -0.317 . . . . 0.0 110.143 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.73 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -145.38 149.07 34.09 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-O 121.24 0.543 . . . . 0.0 111.732 -179.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.3 t -50.88 -25.71 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.971 -178.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.503 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -156.18 176.51 12.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.895 0.379 . . . . 0.0 111.4 179.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.81 96.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.395 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.04 -54.82 36.15 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.847 ' O ' HG23 ' A' ' 29' ' ' VAL . 57.0 p -50.8 -45.65 59.42 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.659 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.68 -53.58 56.32 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.087 178.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.36 -47.56 62.74 Favored 'General case' 0 N--CA 1.456 -0.126 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.651 178.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.61 -45.26 93.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.562 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 25' ' ' THR . 88.7 t -58.94 -40.15 79.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.418 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 26' ' ' ALA . 58.1 t -64.76 -48.13 85.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 178.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.508 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 9.6 mtpm? -48.82 -51.26 30.4 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.024 0.44 . . . . 0.0 110.31 178.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.453 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 7.6 tt0 -60.3 -37.33 80.2 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.93 179.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.918 ' CG ' HD23 ' B' ' 12' ' ' LEU . 66.7 t80 -52.12 -55.77 18.72 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.812 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -72.1 -36.17 69.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.817 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.535 ' ND2' HG21 ' B' ' 39' ' ' VAL . 29.1 t-20 -50.06 -41.24 47.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.653 178.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -94.81 -22.76 17.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.816 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.491 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.8 m-20 -80.64 -46.68 15.25 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.079 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.86 -117.11 0.0 OUTLIER Glycine 0 CA--C 1.521 0.453 0 N-CA-C 115.539 0.975 . . . . 0.0 115.539 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.7 t -111.64 4.67 8.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -176.409 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -125.25 11.46 8.14 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 118.494 0.588 . . . . 0.0 112.091 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.62 176.13 54.22 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.993 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -94.52 98.62 10.97 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.717 0.294 . . . . 0.0 110.348 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.56 ' CH2' HG12 ' B' ' 30' ' ' VAL . 10.7 m95 -94.36 115.17 27.35 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.7 p -109.31 136.81 48.15 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.492 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 8.3 t80 -110.73 144.46 39.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 111.534 -178.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -123.22 82.42 2.0 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.696 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.437 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 14.7 m-20 -45.9 -35.22 4.41 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.796 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.69 -33.34 15.56 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.9 p -128.11 16.5 6.72 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm 48.18 36.16 6.31 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.916 0.389 . . . . 0.0 110.597 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.488 HG21 ' NZ ' ' B' ' 4' ' ' LYS . 93.9 m -127.24 140.13 52.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.594 -179.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.492 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 6.3 m-85 -105.42 144.38 32.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.495 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.502 HG22 ' HB ' ' B' ' 6' ' ' ILE . 2.8 p -116.04 125.01 51.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.094 0.474 . . . . 0.0 110.75 178.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.403 HG12 ' OD1' ' A' ' 37' ' ' ASN . 44.6 t -108.37 111.69 37.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.325 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.632 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 23.2 m -102.03 113.96 27.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.745 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.491 ' HG2' ' HA2' ' B' ' 9' ' ' GLY . 19.1 pt-20 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.713 -179.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.402 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 27.7 ttt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.869 0.366 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.402 ' N ' ' HG2' ' B' ' 1' ' ' MET . 8.2 tt0 -105.84 144.03 33.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.371 179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -132.44 148.54 52.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.865 0.364 . . . . 0.0 110.857 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.488 ' NZ ' HG21 ' A' ' 51' ' ' THR . 28.9 ttpp -107.04 155.17 20.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.918 179.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.846 ' HB ' HG23 ' B' ' 16' ' ' THR . 55.3 t -137.27 128.15 39.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.246 0.546 . . . . 0.0 111.377 -179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.502 ' HB ' HG22 ' A' ' 53' ' ' THR . 70.9 mt -94.9 113.93 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.24 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mt -94.37 85.26 4.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.632 ' O ' ' HA ' ' A' ' 55' ' ' THR . 30.9 t-20 -95.18 106.88 18.94 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.5 -177.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.491 ' HA2' ' HG2' ' A' ' 56' ' ' GLU . . . -115.19 -170.34 16.24 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.278 -0.963 . . . . 0.0 112.354 179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.418 ' NZ ' ' HB3' ' B' ' 10' ' ' LYS . 5.4 mtpm? -76.23 -56.31 4.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.002 0.43 . . . . 0.0 110.403 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.454 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 4.1 p -107.2 6.69 28.93 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.2 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 1.018 HD13 ' HB ' ' A' ' 18' ' ' THR . 23.1 tp -138.24 138.6 38.64 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.145 0.498 . . . . 0.0 111.515 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.505 ' H ' HD12 ' B' ' 12' ' ' LEU . 10.4 mtmp? -145.3 146.08 31.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.391 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.47 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 177.37 -166.41 36.89 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.175 -1.012 . . . . 0.0 113.201 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -146.84 156.6 43.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.906 0.384 . . . . 0.0 110.628 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.846 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.1 OUTLIER -151.05 169.2 22.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.976 -179.551 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.455 ' O ' HD12 ' A' ' 12' ' ' LEU . 55.0 p -143.09 118.36 10.2 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -179.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 1.014 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.9 t -109.15 145.94 34.92 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.569 178.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -105.77 115.66 30.61 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.728 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -145.32 149.04 34.11 Favored 'General case' 0 CA--C 1.529 0.16 0 CA-C-O 121.144 0.497 . . . . 0.0 111.77 -179.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.3 t -50.94 -25.64 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.981 -178.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.501 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -156.19 176.49 12.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.926 0.393 . . . . 0.0 111.336 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.73 95.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.469 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.19 -54.69 37.35 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.844 ' O ' HG23 ' B' ' 29' ' ' VAL . 57.3 p -50.94 -45.54 60.62 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.651 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.65 -53.6 56.17 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.176 177.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.23 -47.61 62.32 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.693 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.67 -45.15 94.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.566 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.844 HG23 ' O ' ' B' ' 25' ' ' THR . 86.5 t -59.08 -40.07 79.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.401 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.651 HG23 ' O ' ' B' ' 26' ' ' ALA . 58.2 t -64.83 -48.06 85.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.51 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 9.6 mtpm? -48.82 -51.3 30.17 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 121.086 0.469 . . . . 0.0 110.294 178.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.449 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 7.6 tt0 -60.26 -37.46 80.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.79 179.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.916 ' CG ' HD23 ' A' ' 12' ' ' LEU . 66.5 t80 -52.05 -55.73 18.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.788 178.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -72.18 -36.13 69.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.386 -0.825 . . . . 0.0 109.807 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.534 ' ND2' HG21 ' A' ' 39' ' ' VAL . 29.1 t-20 -50.0 -41.37 46.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.637 178.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -94.72 -22.82 17.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.682 -1.144 . . . . 0.0 112.737 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.497 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.8 m-20 -80.56 -46.63 15.43 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.108 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.89 -117.16 0.0 OUTLIER Glycine 0 C--N 1.334 0.462 0 CA-C-N 114.995 -1.002 . . . . 0.0 115.591 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.7 t -111.55 4.65 8.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 -176.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -125.29 11.47 8.11 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.799 -0.563 . . . . 0.0 112.006 -179.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.6 176.02 54.24 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 120.493 -0.861 . . . . 0.0 113.019 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -94.43 98.6 10.99 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.748 0.309 . . . . 0.0 110.321 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.558 ' CH2' HG12 ' A' ' 30' ' ' VAL . 10.7 m95 -94.4 115.16 27.32 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.414 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 62.8 p -109.25 136.77 48.17 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 178.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.493 ' CD1' ' CD2' ' B' ' 52' ' ' PHE . 8.2 t80 -110.71 144.51 39.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.949 0.404 . . . . 0.0 111.531 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -123.24 82.39 1.99 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.735 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.439 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 14.8 m-20 -45.88 -35.33 4.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.721 -179.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.65 -33.28 15.14 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 -178.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -128.12 16.41 6.71 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.777 0.288 . . . . 0.0 111.777 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm 48.27 36.16 6.51 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.919 0.39 . . . . 0.0 110.611 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.496 HG21 ' NZ ' ' A' ' 4' ' ' LYS . 93.9 m -127.17 140.16 52.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.54 -179.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.493 ' CD2' ' CD1' ' B' ' 45' ' ' TYR . 6.4 m-85 -105.47 144.49 32.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.47 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.494 HG22 ' HB ' ' A' ' 6' ' ' ILE . 2.8 p -116.15 124.96 51.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.056 0.455 . . . . 0.0 110.769 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.406 HG12 ' OD1' ' B' ' 37' ' ' ASN . 44.5 t -108.22 111.77 37.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.255 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.628 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 22.9 m -102.04 113.93 27.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.773 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.488 ' HG2' ' HA2' ' A' ' 9' ' ' GLY . 19.2 pt-20 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.834 -179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.622 ' HG3' ' CE1' ' A' ' 3' ' ' TYR . 4.7 ppp? . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -97.86 125.91 42.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.88 0.371 . . . . 0.0 111.371 -179.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.622 ' CE1' ' HG3' ' A' ' 1' ' ' MET . 1.3 m-85 -122.31 145.63 48.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.324 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.515 ' O ' ' HA ' ' B' ' 51' ' ' THR . 24.3 ttmm -110.97 107.65 17.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.797 0.332 . . . . 0.0 111.455 -179.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.822 ' HB ' HG23 ' A' ' 16' ' ' THR . 98.5 t -94.04 117.6 38.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.232 0.539 . . . . 0.0 110.585 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.773 HG22 ' OD1' ' A' ' 8' ' ' ASN . 65.4 mt -94.42 130.0 43.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.36 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.426 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.1 mt -107.99 92.26 3.99 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.431 -178.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.773 ' OD1' HG22 ' A' ' 6' ' ' ILE . 6.0 m120 -97.21 106.67 19.03 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.907 -179.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.87 -171.18 18.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.513 -0.851 . . . . 0.0 112.297 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.5 mtmp? -76.64 -55.5 5.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.904 0.383 . . . . 0.0 110.77 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.486 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 3.2 p -107.62 6.53 27.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.187 -179.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.9 HD23 ' CG ' ' B' ' 33' ' ' PHE . 19.0 tp -138.36 138.68 38.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.095 0.474 . . . . 0.0 110.724 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.55 ' H ' HD12 ' A' ' 12' ' ' LEU . 95.2 mttt -145.0 144.06 30.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.239 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.67 -168.24 37.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 119.982 -1.104 . . . . 0.0 113.373 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -150.17 143.08 24.8 Favored 'General case' 0 CA--C 1.514 -0.435 0 CA-C-O 121.341 0.591 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.822 HG23 ' HB ' ' A' ' 5' ' ' VAL . 4.0 t -136.02 169.08 18.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.773 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.408 ' O ' HD12 ' B' ' 12' ' ' LEU . 76.9 p -142.96 119.24 10.85 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 -178.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.862 ' HB ' HD13 ' B' ' 12' ' ' LEU . 14.3 t -109.68 144.44 38.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.577 178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -106.82 113.84 27.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.608 0.242 . . . . 0.0 110.441 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.705 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -146.21 152.75 39.72 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.21 0.529 . . . . 0.0 112.053 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.414 HG23 ' H ' ' A' ' 21' ' ' VAL . 17.1 t -50.59 -36.38 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.893 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.456 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 4.0 p-10 -142.55 166.92 23.35 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.2 179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.532 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -57.1 -41.59 79.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.122 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.54 -54.81 30.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.89 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.907 ' O ' HG23 ' A' ' 29' ' ' VAL . 20.6 p -52.89 -44.03 66.6 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.705 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -61.38 -50.75 71.62 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 178.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.49 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 89.3 tt0 -54.99 -48.71 72.95 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.932 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -58.52 -39.35 79.89 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.353 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.907 HG23 ' O ' ' A' ' 25' ' ' THR . 97.2 t -59.95 -37.05 70.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.164 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.682 HG21 HG21 ' A' ' 5' ' ' VAL . 15.3 t -65.51 -47.88 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.419 178.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -47.96 -44.1 29.97 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.144 0.497 . . . . 0.0 109.911 178.778 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.411 ' NE2' ' C ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -65.66 -37.0 85.3 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.461 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.906 ' CG ' HD23 ' B' ' 12' ' ' LEU . 60.8 t80 -55.8 -58.11 9.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.252 -0.885 . . . . 0.0 110.238 178.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.494 ' CE2' HG12 ' A' ' 30' ' ' VAL . 28.1 m-85 -72.51 -41.71 65.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.157 179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -49.42 -38.32 28.73 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.492 0.663 . . . . 0.0 109.705 178.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.459 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 38.6 m-20 -94.62 -24.67 17.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.918 -179.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.476 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.4 m-20 -78.37 -46.73 19.26 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -1.61 -121.28 0.0 OUTLIER Glycine 0 CA--C 1.519 0.339 0 CA-C-N 114.494 -1.23 . . . . 0.0 116.047 179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.2 t -89.48 -43.79 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 115.899 1.815 . . . . 0.0 115.899 -175.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -99.37 28.67 4.4 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -177.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.63 169.83 54.13 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 119.926 -1.131 . . . . 0.0 111.74 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -91.06 95.74 10.25 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.887 0.343 . . . . 0.0 110.17 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.551 ' HH2' HG12 ' B' ' 30' ' ' VAL . 6.8 m0 -97.78 119.59 36.65 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -178.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 54.6 p -106.42 133.94 50.33 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 17.4 t80 -106.35 143.15 34.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.98 0.419 . . . . 0.0 111.828 -178.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.7 t0 -123.61 81.13 1.87 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.498 179.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.24 -35.46 7.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.502 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.496 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.23 -34.21 22.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.027 -179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 75.7 p -128.18 10.86 6.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -179.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.8 mttp 54.49 31.49 14.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.966 0.412 . . . . 0.0 110.567 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.56 HG21 ' CD1' ' B' ' 6' ' ' ILE . 95.9 m -105.0 148.7 26.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.352 -178.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.526 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 27.1 m-85 -122.58 96.23 4.95 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.296 0.57 . . . . 0.0 111.827 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -78.11 124.73 28.39 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.205 -0.907 . . . . 0.0 111.255 179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.6 t -113.14 111.79 37.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.204 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.595 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 25.2 m -101.33 116.3 32.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.279 -179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.459 ' HG2' ' HB2' ' A' ' 36' ' ' ASP . 3.7 tm-20 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.623 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.625 ' HG3' ' CE1' ' B' ' 3' ' ' TYR . 4.7 ppp? . . . . . 0 N--CA 1.489 1.478 0 N-CA-C 111.528 0.195 . . . . 0.0 111.528 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -97.83 125.79 42.87 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.847 0.356 . . . . 0.0 111.446 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.625 ' CE1' ' HG3' ' B' ' 1' ' ' MET . 1.3 m-85 -122.17 145.61 48.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.41 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.52 ' O ' ' HA ' ' A' ' 51' ' ' THR . 24.3 ttmm -110.96 107.73 17.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.735 0.302 . . . . 0.0 111.408 -179.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.821 ' HB ' HG23 ' B' ' 16' ' ' THR . 97.7 t -94.22 117.73 38.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.369 0.604 . . . . 0.0 110.495 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.767 HG22 ' OD1' ' B' ' 8' ' ' ASN . 66.0 mt -94.49 129.87 44.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.324 -179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.1 mt -107.86 92.25 3.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.441 -178.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.767 ' OD1' HG22 ' B' ' 6' ' ' ILE . 6.0 m120 -97.14 106.62 18.98 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.926 -179.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.88 -171.22 18.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.36 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.465 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.5 mtmp? -76.66 -55.45 5.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.828 0.347 . . . . 0.0 110.778 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.483 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 3.3 p -107.58 6.51 28.01 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.22 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.906 HD23 ' CG ' ' A' ' 33' ' ' PHE . 19.2 tp -138.43 138.66 38.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.009 0.433 . . . . 0.0 110.828 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.547 ' H ' HD12 ' B' ' 12' ' ' LEU . 95.2 mttt -144.95 144.04 30.85 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.159 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.67 -168.09 37.39 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.055 -1.069 . . . . 0.0 113.406 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -150.23 143.11 24.76 Favored 'General case' 0 CA--C 1.513 -0.45 0 CA-C-O 121.362 0.601 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.821 HG23 ' HB ' ' B' ' 5' ' ' VAL . 4.0 t -136.05 169.11 18.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.752 -179.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' B' ' 3' ' ' TYR . 76.1 p -142.97 119.23 10.83 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.851 ' HB ' HD13 ' A' ' 12' ' ' LEU . 14.1 t -109.69 144.49 37.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.548 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -106.74 113.78 27.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.556 0.217 . . . . 0.0 110.537 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.711 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -146.25 152.77 39.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.249 0.547 . . . . 0.0 111.93 -179.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 17.1 t -50.65 -36.4 14.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.366 -0.834 . . . . 0.0 111.902 -178.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.455 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 4.0 p-10 -142.45 166.93 23.32 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.249 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.526 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -57.0 -41.77 79.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.44 -54.8 30.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.967 179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.908 ' O ' HG23 ' B' ' 29' ' ' VAL . 20.7 p -52.71 -44.15 66.13 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.711 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -61.48 -50.69 71.73 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 178.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.49 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 89.3 tt0 -55.03 -48.7 73.04 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.866 179.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -58.63 -39.32 80.19 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.431 179.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.908 HG23 ' O ' ' B' ' 25' ' ' THR . 97.6 t -60.04 -36.98 70.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.107 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.674 HG21 HG21 ' B' ' 5' ' ' VAL . 15.4 t -65.51 -47.89 84.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' B' ' 27' ' ' GLU . 1.0 OUTLIER -47.92 -44.21 29.72 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.051 0.453 . . . . 0.0 109.886 178.751 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.409 ' NE2' ' C ' ' B' ' 32' ' ' GLN . 0.0 OUTLIER -65.57 -37.0 85.4 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 178.421 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.9 ' CG ' HD23 ' A' ' 12' ' ' LEU . 61.0 t80 -55.89 -58.0 9.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.202 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.497 ' CE2' HG12 ' B' ' 30' ' ' VAL . 28.1 m-85 -72.58 -41.6 65.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.773 -0.648 . . . . 0.0 111.185 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -49.45 -38.3 29.05 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.573 0.701 . . . . 0.0 109.759 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.464 ' HB2' ' HG2' ' B' ' 56' ' ' GLU . 38.9 m-20 -94.64 -24.75 17.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.801 -1.09 . . . . 0.0 112.763 -179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.3 m-20 -78.44 -46.62 19.34 Favored 'General case' 0 CA--C 1.519 -0.212 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -1.6 -121.36 0.0 OUTLIER Glycine 0 C--N 1.333 0.37 0 CA-C-N 114.52 -1.218 . . . . 0.0 116.016 179.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 63.6 t -89.44 -43.84 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -175.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -99.38 28.74 4.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.62 169.74 54.16 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.013 -1.089 . . . . 0.0 111.762 178.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -91.03 95.6 10.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 117.002 0.401 . . . . 0.0 110.26 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.559 ' HH2' HG12 ' A' ' 30' ' ' VAL . 6.8 m0 -97.69 119.66 36.67 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -178.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 53.0 p -106.52 134.07 50.22 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 17.4 t80 -106.41 143.26 34.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.025 0.44 . . . . 0.0 111.837 -178.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.491 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.6 t0 -123.6 81.12 1.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.484 179.01 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.24 -35.57 7.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.444 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.491 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.15 -34.19 21.52 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.05 -179.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 74.7 p -128.22 10.93 6.38 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 16.7 mttp 54.56 31.42 14.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.028 0.442 . . . . 0.0 110.528 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.551 HG21 ' CD1' ' A' ' 6' ' ' ILE . 95.4 m -104.99 148.56 26.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.522 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.532 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 26.4 m-85 -122.53 96.11 4.9 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-O 121.314 0.578 . . . . 0.0 111.858 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -77.84 124.59 28.17 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.195 -0.912 . . . . 0.0 111.329 179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.6 t -113.08 111.82 37.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.156 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 25.3 m -101.32 116.27 32.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.213 -179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.464 ' HG2' ' HB2' ' B' ' 36' ' ' ASP . 3.7 tm-20 . . . . . 0 C--O 1.248 0.992 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.651 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.584 ' HG3' ' CE1' ' A' ' 3' ' ' TYR . 2.2 tpt . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.797 0.332 . . . . 0.0 110.48 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -98.92 139.37 34.68 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.182 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.584 ' CE1' ' HG3' ' A' ' 1' ' ' MET . 67.2 m-85 -122.09 141.34 51.51 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.567 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.757 ' O ' HG23 ' B' ' 51' ' ' THR . 61.1 tttm -104.86 108.28 19.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.658 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.673 ' HB ' HG23 ' A' ' 16' ' ' THR . 60.7 t -95.05 136.45 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.206 0.526 . . . . 0.0 110.589 179.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.8 HG22 ' OD1' ' A' ' 8' ' ' ASN . 78.6 mt -110.95 128.34 67.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.278 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 mt -108.26 101.16 10.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.953 -178.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.8 ' OD1' HG22 ' A' ' 6' ' ' ILE . 5.8 m120 -106.74 105.84 16.07 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.851 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.66 -167.63 19.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.553 -0.832 . . . . 0.0 112.532 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.468 ' N ' ' HE3' ' A' ' 10' ' ' LYS . 0.9 OUTLIER -71.32 -55.09 8.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.657 0.265 . . . . 0.0 111.168 -179.767 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.612 ' OG1' HG13 ' B' ' 29' ' ' VAL . 4.8 p -117.96 16.83 14.24 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.408 -179.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.956 HD13 ' HB ' ' B' ' 18' ' ' THR . 26.9 tp -141.55 139.39 33.19 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.102 0.477 . . . . 0.0 111.29 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.51 ' H ' HD12 ' A' ' 12' ' ' LEU . 97.1 mttt -145.33 147.87 32.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.284 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.67 -176.0 43.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.004 -1.093 . . . . 0.0 113.751 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -136.27 135.16 38.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.824 0.345 . . . . 0.0 110.256 179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.772 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -134.25 166.25 23.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.038 -179.7 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.475 HG22 ' HA ' ' A' ' 4' ' ' LYS . 46.7 p -143.46 121.36 12.01 Favored 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.971 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.3 t -108.58 142.22 39.34 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.329 178.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.4 ' OE1' ' N ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -105.85 110.38 22.65 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.624 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -142.55 152.96 43.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.223 0.535 . . . . 0.0 112.107 -179.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.0 t -50.86 -37.16 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.844 -178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.684 ' OD1' HG23 ' A' ' 25' ' ' THR . 59.2 p30 -146.4 167.92 22.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.687 0.28 . . . . 0.0 111.111 179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.95 -40.46 63.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.623 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.81 -55.13 29.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.202 179.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.814 ' O ' HG23 ' A' ' 29' ' ' VAL . 45.7 p -52.94 -45.26 67.6 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -60.04 -53.08 62.07 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 177.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.474 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 5.1 tp10 -51.49 -49.91 60.92 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.839 179.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 4.3 mmmp? -59.16 -41.02 87.36 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.67 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 25' ' ' THR . 73.8 t -54.26 -40.96 49.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.328 179.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.643 HG12 ' CH2' ' B' ' 43' ' ' TRP . 39.4 t -64.53 -46.75 91.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.474 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 1.0 OUTLIER -49.63 -45.65 48.58 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.79 0.329 . . . . 0.0 110.658 178.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -69.12 -38.72 79.03 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 178.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.8 ' CG ' HD23 ' B' ' 12' ' ' LEU . 61.0 t80 -54.14 -55.78 24.49 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.082 -0.963 . . . . 0.0 110.718 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.499 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 25.6 m-85 -75.84 -39.04 57.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.592 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -50.9 -39.03 53.37 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.324 0.583 . . . . 0.0 110.001 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.468 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 34.2 m-20 -94.66 -26.5 16.3 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.073 -0.967 . . . . 0.0 113.388 -179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.507 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 90.0 m-20 -75.68 -40.48 55.84 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 120.439 -0.504 . . . . 0.0 109.892 179.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.94 -119.91 0.0 OUTLIER Glycine 0 CA--C 1.521 0.453 0 CA-C-N 114.463 -1.244 . . . . 0.0 115.909 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.2 t -84.81 -55.51 6.77 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 N-CA-C 115.761 1.763 . . . . 0.0 115.761 -175.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -90.1 27.55 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -176.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.09 146.41 49.06 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 119.926 -1.131 . . . . 0.0 112.238 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.19 93.19 2.29 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.741 0.305 . . . . 0.0 110.225 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.643 ' CH2' HG12 ' B' ' 30' ' ' VAL . 10.3 m0 -105.69 128.9 53.94 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 77.0 p -110.3 140.08 44.84 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.434 ' CD2' ' OD1' ' A' ' 47' ' ' ASP . 5.9 t80 -109.89 142.03 41.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.929 0.395 . . . . 0.0 111.777 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -123.63 81.97 1.96 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.644 179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.434 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 13.6 m-20 -46.46 -35.15 5.34 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.554 -179.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.02 -31.19 12.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.128 -179.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 73.9 p -128.03 15.12 6.83 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HE2' ' HE3' ' B' ' 1' ' ' MET . 2.6 mtmp? 47.54 38.96 8.74 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.089 0.471 . . . . 0.0 110.657 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.758 HG23 ' O ' ' B' ' 4' ' ' LYS . 88.0 m -125.33 144.44 50.49 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.643 -179.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.458 ' CD1' ' N ' ' A' ' 52' ' ' PHE . 1.5 m-85 -113.43 145.82 40.53 Favored 'General case' 0 C--O 1.223 -0.305 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.052 179.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -121.45 127.39 51.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.965 0.412 . . . . 0.0 111.024 178.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.64 HG13 ' NE1' ' A' ' 43' ' ' TRP . 45.3 t -107.64 113.31 43.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.463 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.597 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 23.5 m -101.26 109.32 21.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 111.413 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.468 ' HG2' ' HB2' ' A' ' 36' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.54 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.639 ' HA ' ' HE2' ' B' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.86 0.362 . . . . 0.0 110.562 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -99.32 139.07 35.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.099 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -121.81 141.49 51.17 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.642 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.758 ' O ' HG23 ' A' ' 51' ' ' THR . 61.0 tttm -104.93 108.22 19.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.677 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.679 ' HB ' HG23 ' B' ' 16' ' ' THR . 60.3 t -95.07 136.46 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-O 121.185 0.516 . . . . 0.0 110.583 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.806 HG22 ' OD1' ' B' ' 8' ' ' ASN . 79.4 mt -110.91 128.27 67.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.35 -179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.0 mt -108.33 101.27 10.48 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.944 -178.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.806 ' OD1' HG22 ' B' ' 6' ' ' ILE . 5.8 m120 -106.65 105.86 16.1 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.839 -179.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.71 -167.57 19.19 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.467 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.466 ' HE3' ' N ' ' B' ' 10' ' ' LYS . 0.9 OUTLIER -71.21 -55.11 8.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.707 0.289 . . . . 0.0 111.26 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.612 ' OG1' HG13 ' A' ' 29' ' ' VAL . 4.7 p -118.03 16.77 14.18 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.282 -179.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.971 HD13 ' HB ' ' A' ' 18' ' ' THR . 26.7 tp -141.59 139.42 33.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.027 0.441 . . . . 0.0 111.276 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.507 ' H ' HD12 ' B' ' 12' ' ' LEU . 97.0 mttt -145.31 147.83 32.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.304 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.71 -176.1 43.67 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 119.892 -1.147 . . . . 0.0 113.602 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.2 mp0 -136.14 135.14 38.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.923 0.392 . . . . 0.0 110.279 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.764 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -134.17 166.23 23.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.04 -179.772 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.475 HG22 ' HA ' ' B' ' 4' ' ' LYS . 47.1 p -143.44 121.24 11.93 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.956 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.2 t -108.42 142.23 39.09 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.343 178.387 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' B' ' 20' ' ' ALA . 0.0 OUTLIER -105.91 110.4 22.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.622 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -142.57 153.01 43.15 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-O 121.19 0.519 . . . . 0.0 112.059 -179.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.0 t -50.87 -37.35 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.938 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.679 ' OD1' HG23 ' B' ' 25' ' ' THR . 59.3 p30 -146.19 167.84 22.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.789 0.328 . . . . 0.0 111.051 179.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -52.93 -40.39 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.574 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.86 -55.06 29.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.168 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.816 ' O ' HG23 ' B' ' 29' ' ' VAL . 45.5 p -53.06 -45.19 67.97 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 178.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -59.97 -53.18 60.82 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.474 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 5.1 tp10 -51.5 -49.78 61.2 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.933 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.46 ' NZ ' ' HB3' ' B' ' 28' ' ' LYS . 4.2 mmmp? -59.16 -41.03 87.42 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.768 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.816 HG23 ' O ' ' B' ' 25' ' ' THR . 72.5 t -54.26 -40.98 50.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.339 179.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.643 HG12 ' CH2' ' A' ' 43' ' ' TRP . 39.4 t -64.45 -46.77 91.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.544 179.041 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.474 ' HD3' ' O ' ' B' ' 27' ' ' GLU . 1.0 OUTLIER -49.49 -45.76 47.37 Favored 'General case' 0 CA--C 1.522 -0.097 0 CA-C-O 120.873 0.368 . . . . 0.0 110.672 178.857 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -69.09 -38.87 79.21 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 178.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.792 ' CG ' HD23 ' A' ' 12' ' ' LEU . 60.9 t80 -54.02 -55.75 24.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.003 -0.999 . . . . 0.0 110.755 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.5 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 25.5 m-85 -75.91 -39.09 56.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.525 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -50.74 -39.08 51.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.393 0.616 . . . . 0.0 110.003 178.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.458 ' HB2' ' HG2' ' B' ' 56' ' ' GLU . 34.0 m-20 -94.65 -26.56 16.29 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.055 -0.975 . . . . 0.0 113.365 -178.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.507 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 90.1 m-20 -75.75 -40.4 55.49 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 120.374 -0.53 . . . . 0.0 109.902 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.02 -119.81 0.0 OUTLIER Glycine 0 C--N 1.333 0.369 0 CA-C-N 114.636 -1.166 . . . . 0.0 115.989 179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -84.9 -55.54 6.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 115.696 1.739 . . . . 0.0 115.696 -175.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -90.03 27.38 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.634 0.976 . . . . 0.0 113.634 -176.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.95 146.37 49.15 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 119.958 -1.115 . . . . 0.0 112.148 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -74.13 93.14 2.26 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 179.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.643 ' CH2' HG12 ' A' ' 30' ' ' VAL . 10.4 m0 -105.67 129.06 53.97 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -178.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 77.8 p -110.37 140.17 44.84 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 177.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.43 ' CD2' ' OD1' ' B' ' 47' ' ' ASP . 5.9 t80 -109.95 141.83 42.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.925 0.393 . . . . 0.0 111.781 -178.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.49 81.87 1.94 Allowed 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.745 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.43 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 13.6 m-20 -46.38 -35.31 5.35 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.524 -179.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.9 -31.26 11.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 112.283 -179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 73.9 p -127.99 15.34 6.84 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? 47.21 39.27 8.16 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.041 0.448 . . . . 0.0 110.71 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.757 HG23 ' O ' ' A' ' 4' ' ' LYS . 87.0 m -125.35 144.36 50.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.661 -179.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.46 ' CD1' ' N ' ' B' ' 52' ' ' PHE . 1.5 m-85 -113.43 145.83 40.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.043 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.449 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -121.5 127.45 51.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.958 0.409 . . . . 0.0 110.973 178.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.64 HG13 ' CD1' ' B' ' 43' ' ' TRP . 45.3 t -107.61 113.24 43.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.524 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.606 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 24.0 m -101.25 109.33 21.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 0.0 111.242 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.458 ' HG2' ' HB2' ' B' ' 36' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.597 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.613 ' HE1' ' HG2' ' B' ' 50' ' ' LYS . 5.7 ttp . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.748 0.309 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -99.08 132.25 44.54 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.334 -0.393 . . . . 0.0 109.946 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.478 ' CE2' ' HE1' ' A' ' 1' ' ' MET . 70.8 m-85 -115.46 143.93 44.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.832 0.348 . . . . 0.0 110.797 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.505 ' O ' ' HA ' ' B' ' 51' ' ' THR . 63.1 tttp -103.26 105.91 16.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.512 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.622 ' HB ' HG23 ' A' ' 16' ' ' THR . 90.3 t -94.62 112.82 27.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.3 0.571 . . . . 0.0 110.767 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.712 HG22 ' OD1' ' A' ' 8' ' ' ASN . 47.9 mt -94.94 127.87 46.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.786 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.435 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.9 mt -108.94 101.43 10.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.154 -179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.712 ' OD1' HG22 ' A' ' 6' ' ' ILE . 3.9 m120 -105.06 108.89 20.65 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.472 ' CA ' ' HB2' ' B' ' 56' ' ' GLU . . . -114.88 -176.21 18.72 Favored Glycine 0 N--CA 1.444 -0.811 0 C-N-CA 120.546 -0.835 . . . . 0.0 111.7 178.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 12.6 mptt -76.54 -50.43 13.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.08 0.467 . . . . 0.0 110.322 179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.537 ' OG1' HG13 ' B' ' 29' ' ' VAL . 10.4 p -106.21 1.77 26.34 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.497 -179.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.948 HD23 ' CG ' ' B' ' 33' ' ' PHE . 19.2 tp -137.0 137.56 39.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.279 0.561 . . . . 0.0 111.543 -179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.521 ' H ' HD12 ' A' ' 12' ' ' LEU . 2.0 mppt? -143.51 143.12 31.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.764 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.48 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -174.03 -177.33 43.12 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 119.817 -1.182 . . . . 0.0 113.393 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -140.09 136.02 33.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.495 -0.353 . . . . 0.0 110.197 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.765 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -135.33 165.26 25.86 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.757 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 63.3 p -143.37 119.15 10.51 Favored 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.94 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.6 t -106.95 145.91 31.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.641 -0.708 . . . . 0.0 109.359 178.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -106.58 111.2 23.64 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.723 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -142.37 152.13 42.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.203 0.525 . . . . 0.0 111.909 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.8 t -50.86 -29.63 7.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.889 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.637 ' OD1' HG23 ' A' ' 25' ' ' THR . 57.7 p30 -154.1 178.03 10.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.918 0.39 . . . . 0.0 111.391 179.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.72 -42.99 94.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.729 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.83 -54.21 45.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.311 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.807 ' O ' HG23 ' A' ' 29' ' ' VAL . 41.4 p -51.11 -45.14 61.44 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 178.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.74 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.01 -53.86 52.84 Favored 'General case' 0 N--CA 1.451 -0.384 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -52.29 -47.92 65.63 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.769 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -59.62 -43.89 93.65 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-O 121.073 0.463 . . . . 0.0 109.906 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.807 HG23 ' O ' ' A' ' 25' ' ' THR . 83.1 t -60.62 -38.11 77.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.476 179.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 26' ' ' ALA . 15.6 t -67.61 -49.85 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.477 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.535 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 27.9 mmtm -46.15 -51.79 13.44 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-O 121.158 0.504 . . . . 0.0 109.836 178.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.515 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -62.01 -35.36 78.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.725 179.084 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.951 ' CG ' HD23 ' B' ' 12' ' ' LEU . 49.8 t80 -56.19 -61.39 2.42 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.232 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.426 ' CE2' HG12 ' A' ' 30' ' ' VAL . 26.8 m-85 -69.42 -39.63 77.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.823 179.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.532 ' ND2' HG21 ' B' ' 39' ' ' VAL . 32.5 t-20 -49.58 -38.99 33.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.516 0.674 . . . . 0.0 109.797 178.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.7 -23.03 17.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.83 -1.077 . . . . 0.0 112.587 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.474 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.0 m-20 -79.92 -46.6 16.46 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.445 -0.502 . . . . 0.0 109.961 179.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.08 -118.2 0.0 OUTLIER Glycine 0 CA--C 1.521 0.441 0 CA-C-N 114.949 -1.023 . . . . 0.0 115.51 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.674 HG12 ' O ' ' A' ' 39' ' ' VAL . 26.3 t -111.91 5.04 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 114.088 1.144 . . . . 0.0 114.088 -176.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -123.63 12.33 9.25 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.763 -0.585 . . . . 0.0 112.152 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.99 177.98 53.19 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.849 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -97.51 100.38 11.8 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.589 ' HH2' HG12 ' B' ' 30' ' ' VAL . 9.7 m95 -97.18 120.26 37.21 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.8 p -110.16 136.92 48.64 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.504 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 22.8 t80 -111.56 146.98 36.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.155 0.503 . . . . 0.0 112.268 -178.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -123.56 81.61 1.92 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.135 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.91 -36.09 7.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.187 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.11 -37.08 32.36 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.3 p -128.83 12.25 6.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.733 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.583 ' HG2' ' HE1' ' B' ' 1' ' ' MET . 3.5 mppt? 54.75 29.04 11.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.011 0.434 . . . . 0.0 110.345 -178.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.517 HG23 HG13 ' B' ' 6' ' ' ILE . 88.1 m -97.78 134.4 40.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.604 -179.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 25.7 m-85 -112.14 128.54 56.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.999 179.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -110.08 92.69 4.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.326 0.584 . . . . 0.0 111.649 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 51.4 t -82.99 118.48 30.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.452 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 m -85.23 160.78 19.8 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.246 0.546 . . . . 0.0 111.962 -178.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.474 ' HB2' ' CA ' ' B' ' 9' ' ' GLY . 45.9 tt0 . . . . . 0 C--O 1.249 1.065 0 CA-C-N 115.078 -0.964 . . . . 0.0 110.871 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.583 ' HE1' ' HG2' ' A' ' 50' ' ' LYS . 5.6 ttp . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.818 0.342 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -99.05 132.22 44.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.055 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.482 ' CE2' ' HE1' ' B' ' 1' ' ' MET . 71.0 m-85 -115.45 144.1 44.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.329 . . . . 0.0 110.796 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 51' ' ' THR . 63.2 tttp -103.36 105.79 16.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.538 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.621 ' HB ' HG23 ' B' ' 16' ' ' THR . 88.6 t -94.61 112.81 27.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.376 0.608 . . . . 0.0 110.804 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.715 HG22 ' OD1' ' B' ' 8' ' ' ASN . 47.8 mt -95.0 127.88 46.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.34 -0.845 . . . . 0.0 110.721 -179.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.9 mt -109.0 101.45 10.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.063 -179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.715 ' OD1' HG22 ' B' ' 6' ' ' ILE . 3.9 m120 -105.08 108.91 20.68 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.474 ' CA ' ' HB2' ' A' ' 56' ' ' GLU . . . -114.89 -176.26 18.72 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.451 -0.88 . . . . 0.0 111.692 178.469 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' B' ' 10' ' ' LYS . 12.6 mptt -76.56 -50.35 14.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.049 0.452 . . . . 0.0 110.332 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.542 ' OG1' HG13 ' A' ' 29' ' ' VAL . 10.4 p -106.16 1.64 26.36 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.46 -179.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.951 HD23 ' CG ' ' A' ' 33' ' ' PHE . 19.1 tp -136.91 137.4 39.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.228 0.537 . . . . 0.0 111.597 -179.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.521 ' H ' HD12 ' B' ' 12' ' ' LEU . 2.0 mppt? -143.37 143.1 31.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.779 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -174.0 -177.36 43.12 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 119.906 -1.14 . . . . 0.0 113.517 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -140.05 135.89 33.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.852 0.358 . . . . 0.0 110.289 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.754 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -135.16 165.39 25.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.735 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 64.0 p -143.52 119.1 10.38 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -178.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.93 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.7 t -106.95 145.81 31.81 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.376 178.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -106.53 111.23 23.69 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.717 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -142.41 152.2 42.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.28 0.562 . . . . 0.0 111.877 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.9 t -50.9 -29.6 7.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.833 -178.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.64 ' OD1' HG23 ' B' ' 25' ' ' THR . 57.6 p30 -154.1 178.01 10.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.869 0.366 . . . . 0.0 111.489 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.0 94.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.714 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.83 -54.34 43.53 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.808 ' O ' HG23 ' B' ' 29' ' ' VAL . 41.4 p -50.99 -45.16 60.99 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.742 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.92 -54.02 51.06 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -52.27 -47.9 65.58 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.7 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -59.65 -43.91 93.74 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 121.064 0.459 . . . . 0.0 109.908 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.808 HG23 ' O ' ' B' ' 25' ' ' THR . 83.2 t -60.57 -38.16 77.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.499 179.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.742 HG23 ' O ' ' B' ' 26' ' ' ALA . 15.7 t -67.58 -49.84 66.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.537 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 27.9 mmtm -46.1 -51.88 13.09 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 121.335 0.588 . . . . 0.0 109.87 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.517 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -62.0 -35.38 78.37 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.716 179.14 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.948 ' CG ' HD23 ' A' ' 12' ' ' LEU . 50.1 t80 -56.18 -61.37 2.44 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.243 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.419 ' CE2' HG12 ' B' ' 30' ' ' VAL . 26.8 m-85 -69.44 -39.65 77.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.801 179.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.526 ' ND2' HG21 ' A' ' 39' ' ' VAL . 32.6 t-20 -49.62 -38.99 34.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.45 0.643 . . . . 0.0 109.818 178.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.68 -22.98 17.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.852 -1.067 . . . . 0.0 112.517 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.478 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.0 m-20 -79.96 -46.63 16.34 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.902 179.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.11 -118.12 0.0 OUTLIER Glycine 0 C--N 1.333 0.396 0 CA-C-N 114.887 -1.051 . . . . 0.0 115.539 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.674 HG12 ' O ' ' B' ' 39' ' ' VAL . 25.9 t -111.9 5.01 8.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 114.125 1.157 . . . . 0.0 114.125 -176.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -123.65 12.3 9.23 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.764 -0.585 . . . . 0.0 112.111 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -83.07 177.89 53.11 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.415 -0.897 . . . . 0.0 112.855 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -97.44 100.52 11.95 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.601 ' HH2' HG12 ' A' ' 30' ' ' VAL . 9.7 m95 -97.18 120.25 37.18 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.207 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 38.8 p -110.1 136.96 48.53 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 177.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.508 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 22.8 t80 -111.64 147.05 36.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.152 0.501 . . . . 0.0 112.131 -178.344 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -123.61 81.46 1.9 Allowed 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.165 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.9 -36.12 7.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.111 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.92 -37.22 30.75 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.189 0.441 . . . . 0.0 112.189 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.3 p -128.78 12.17 6.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.754 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.613 ' HG2' ' HE1' ' A' ' 1' ' ' MET . 3.5 mppt? 54.88 29.05 11.34 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.865 0.364 . . . . 0.0 110.23 -178.604 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.521 HG23 HG13 ' A' ' 6' ' ' ILE . 87.5 m -97.9 134.33 41.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.487 -178.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.508 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 25.5 m-85 -112.01 128.55 56.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.042 179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.9 p -110.17 92.74 4.17 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.44 0.638 . . . . 0.0 111.62 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 51.7 t -83.02 118.49 30.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.47 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 7.4 m -85.32 160.81 19.73 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.365 0.603 . . . . 0.0 111.856 -178.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.472 ' HB2' ' CA ' ' A' ' 9' ' ' GLY . 45.8 tt0 . . . . . 0 C--O 1.247 0.944 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.976 179.443 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 N--CA 1.484 1.274 0 CA-C-O 120.803 0.335 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -107.01 143.85 34.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.296 179.584 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.485 ' HE2' ' HB2' ' A' ' 23' ' ' ALA . 10.2 m-85 -128.06 146.86 50.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.73 179.949 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.823 ' O ' HG23 ' B' ' 51' ' ' THR . 62.8 tttp -103.85 109.18 20.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.675 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.741 ' HB ' HG23 ' A' ' 16' ' ' THR . 57.4 t -94.61 131.45 41.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.462 179.861 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.426 ' CD1' HG21 ' B' ' 51' ' ' THR . 70.7 mt -104.7 116.14 47.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.26 -179.529 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.946 HD21 ' CZ ' ' A' ' 34' ' ' PHE . 63.1 mt -94.53 83.44 4.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.434 179.272 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.565 ' O ' ' HA ' ' B' ' 55' ' ' THR . 34.7 t-20 -94.93 107.77 19.8 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.111 -0.95 . . . . 0.0 112.799 -177.717 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.83 -170.69 15.55 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.184 179.165 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -82.81 -55.15 4.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.261 0.553 . . . . 0.0 110.046 179.469 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.422 ' HB ' HG11 ' B' ' 29' ' ' VAL . 5.6 p -100.12 -2.12 34.99 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.007 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.923 HD13 ' HB ' ' B' ' 18' ' ' THR . 16.7 tp -131.76 132.71 44.04 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.085 0.469 . . . . 0.0 111.37 -179.355 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.431 ' H ' HD12 ' A' ' 12' ' ' LEU . 29.7 mmmt -131.75 128.33 38.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.747 -179.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.454 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -166.49 175.92 41.78 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 119.626 -1.273 . . . . 0.0 113.82 -179.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -140.19 140.46 35.88 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 179.36 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.774 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -137.62 167.42 21.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 -179.407 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.573 HG22 ' HA ' ' A' ' 4' ' ' LYS . 71.3 p -143.89 119.73 10.58 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -178.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.915 ' HB ' HD13 ' B' ' 12' ' ' LEU . 9.9 t -106.56 145.03 32.38 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.551 178.393 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -105.75 117.08 33.09 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.574 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.14 153.71 38.11 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.278 0.561 . . . . 0.0 112.167 -179.267 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.0 t -50.63 -28.1 5.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.233 -0.894 . . . . 0.0 112.167 -178.737 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.68 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -155.17 171.24 20.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.709 0.29 . . . . 0.0 111.292 179.384 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.523 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -57.56 -41.79 81.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.464 -179.316 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.66 -54.36 36.95 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.437 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.916 ' O ' HG23 ' A' ' 29' ' ' VAL . 76.2 p -52.19 -45.74 65.28 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.498 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.606 ' HB1' HG23 ' A' ' 18' ' ' THR . . . -60.73 -51.69 68.28 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.398 178.137 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 8.5 tm-20 -53.34 -46.06 69.36 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.418 178.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -62.04 -43.3 99.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.262 179.354 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 25' ' ' THR . 86.6 t -58.13 -40.42 77.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.235 179.518 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.626 HG12 ' CH2' ' B' ' 43' ' ' TRP . 65.4 t -61.89 -45.94 97.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.58 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.496 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 2.1 mmmp? -48.34 -52.36 21.97 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.244 0.545 . . . . 0.0 110.111 179.077 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.406 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 3.7 tp-100 -57.7 -38.12 74.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.783 179.492 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.886 ' CG ' HD23 ' B' ' 12' ' ' LEU . 37.7 t80 -52.86 -65.6 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.06 179.447 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.946 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 27.5 m-85 -66.07 -38.1 87.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.47 179.434 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.421 ' ND2' ' CG2' ' B' ' 39' ' ' VAL . 33.4 t-20 -50.5 -39.93 49.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.468 0.651 . . . . 0.0 110.136 178.693 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -94.74 -22.94 17.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 114.907 -1.042 . . . . 0.0 112.462 -179.827 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.464 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.0 m-20 -78.41 -46.03 20.86 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.193 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -3.84 -118.57 0.0 OUTLIER Glycine 0 CA--C 1.518 0.255 0 CA-C-N 114.587 -1.188 . . . . 0.0 115.687 179.711 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 39' ' ' VAL . 26.3 t -104.91 -1.3 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 114.479 1.288 . . . . 0.0 114.479 -175.921 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -125.41 16.72 8.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 119.285 0.948 . . . . 0.0 112.167 -179.576 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.3 165.06 53.8 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.464 -0.874 . . . . 0.0 113.23 -179.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -92.01 100.14 12.84 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.857 0.361 . . . . 0.0 110.036 179.432 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.632 ' CH2' HG12 ' B' ' 30' ' ' VAL . 9.4 m0 -101.92 122.88 44.86 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.578 0.585 . . . . 0.0 112.578 -178.277 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.467 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 76.8 p -111.36 140.32 46.04 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.119 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.518 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 7.2 t80 -111.74 142.57 43.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 111.59 -178.864 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -123.18 82.96 2.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.657 179.547 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.437 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 54.3 m-20 -45.89 -34.59 3.96 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.502 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.82 -31.87 12.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 112.126 -178.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.2 p -128.07 16.32 6.74 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.537 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt 48.26 38.15 9.7 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.311 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.83 HG23 ' O ' ' B' ' 4' ' ' LYS . 83.4 m -127.6 141.57 51.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.084 0.469 . . . . 0.0 112.137 -178.466 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.521 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 87.1 m-85 -106.61 144.12 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.647 178.66 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.467 ' HG1' ' HG1' ' A' ' 44' ' ' THR . 3.3 p -120.92 124.92 46.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.193 0.521 . . . . 0.0 111.88 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 77.9 t -104.93 110.76 31.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.096 178.429 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.571 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 12.4 m -102.29 115.15 29.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.071 0.463 . . . . 0.0 112.164 -178.35 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.061 179.644 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.5 tpt . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.941 0.4 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -106.91 143.8 34.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.416 179.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.487 ' HE2' ' HB2' ' B' ' 23' ' ' ALA . 9.9 m-85 -127.95 146.86 50.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.793 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.83 ' O ' HG23 ' A' ' 51' ' ' THR . 62.9 tttp -103.75 109.12 20.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.664 -179.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.738 ' HB ' HG23 ' B' ' 16' ' ' THR . 56.8 t -94.63 131.39 41.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.515 179.748 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.432 ' CD1' HG21 ' A' ' 51' ' ' THR . 70.8 mt -104.63 116.15 47.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.109 0.48 . . . . 0.0 111.317 -179.566 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.945 HD21 ' CZ ' ' B' ' 34' ' ' PHE . 63.1 mt -94.48 83.34 4.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.431 179.287 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.571 ' O ' ' HA ' ' A' ' 55' ' ' THR . 34.6 t-20 -94.9 107.81 19.85 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.155 -0.929 . . . . 0.0 112.779 -177.738 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.85 -170.64 15.52 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.194 179.082 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -82.87 -55.08 4.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.241 0.543 . . . . 0.0 110.144 179.456 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.422 ' HB ' HG11 ' A' ' 29' ' ' VAL . 5.7 p -100.16 -1.96 35.28 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.039 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.915 HD13 ' HB ' ' A' ' 18' ' ' THR . 16.8 tp -131.86 132.68 43.87 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.217 0.532 . . . . 0.0 111.384 -179.457 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.426 ' H ' HD12 ' B' ' 12' ' ' LEU . 29.7 mmmt -131.7 128.24 38.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.798 -179.815 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -166.51 175.83 41.81 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 119.63 -1.271 . . . . 0.0 113.854 -179.722 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -140.16 140.42 35.93 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.359 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.765 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -137.48 167.38 21.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.151 -179.376 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.568 HG22 ' HA ' ' B' ' 4' ' ' LYS . 72.0 p -143.87 119.78 10.62 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -179.031 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.923 ' HB ' HD13 ' A' ' 12' ' ' LEU . 9.8 t -106.65 145.07 32.41 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.466 178.439 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -105.75 117.15 33.29 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 179.626 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.578 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -149.19 153.61 37.9 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-O 121.213 0.53 . . . . 0.0 112.217 -179.228 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 25.2 t -50.6 -28.03 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.196 -178.722 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.677 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -155.15 171.2 20.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.352 . . . . 0.0 111.158 179.452 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.521 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -57.59 -41.72 81.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.553 -179.457 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.61 -54.57 33.82 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.398 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.917 ' O ' HG23 ' B' ' 29' ' ' VAL . 75.0 p -52.04 -45.83 64.82 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 178.507 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.608 ' HB1' HG23 ' B' ' 18' ' ' THR . . . -60.68 -51.69 68.28 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.359 178.184 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 8.4 tm-20 -53.35 -46.13 69.4 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.401 178.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -61.97 -43.3 99.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.287 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.917 HG23 ' O ' ' B' ' 25' ' ' THR . 87.0 t -58.15 -40.35 76.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.356 179.431 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.632 HG12 ' CH2' ' A' ' 43' ' ' TRP . 65.0 t -61.85 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 178.467 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.493 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 2.1 mmmp? -48.41 -52.39 22.22 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.142 0.496 . . . . 0.0 110.034 179.121 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.406 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 3.6 tp-100 -57.6 -38.27 74.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.88 179.487 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.892 ' CG ' HD23 ' A' ' 12' ' ' LEU . 36.9 t80 -52.62 -65.62 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.128 179.336 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.945 ' CZ ' HD21 ' B' ' 7' ' ' LEU . 27.5 m-85 -66.15 -38.04 87.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.496 179.443 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.416 ' ND2' ' CG2' ' A' ' 39' ' ' VAL . 33.5 t-20 -50.51 -39.99 50.19 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.427 0.632 . . . . 0.0 110.134 178.621 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -94.77 -22.78 17.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.99 -1.004 . . . . 0.0 112.452 -179.821 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.465 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.0 m-20 -78.47 -46.02 20.69 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.197 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -3.83 -118.62 0.0 OUTLIER Glycine 0 C--N 1.332 0.329 0 CA-C-N 114.587 -1.188 . . . . 0.0 115.639 179.681 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.602 HG12 ' O ' ' B' ' 39' ' ' VAL . 26.9 t -104.97 -1.1 9.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -175.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -125.52 16.79 8.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 119.165 0.893 . . . . 0.0 112.148 -179.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -76.24 165.07 53.84 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.209 -179.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -92.11 100.17 12.85 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.894 0.378 . . . . 0.0 110.174 179.285 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.626 ' CH2' HG12 ' A' ' 30' ' ' VAL . 9.4 m0 -101.86 122.88 44.83 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.57 0.581 . . . . 0.0 112.57 -178.177 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.464 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 76.7 p -111.35 140.42 45.94 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 178.092 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.52 ' CD1' ' CD2' ' B' ' 52' ' ' PHE . 7.2 t80 -111.75 142.59 43.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.854 0.359 . . . . 0.0 111.643 -178.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -123.13 82.98 2.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.686 179.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.435 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 53.9 m-20 -45.87 -34.6 3.93 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.595 -179.721 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.8 -31.83 12.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.244 -178.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 74.1 p -128.0 16.24 6.79 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -179.534 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt 48.17 38.26 9.61 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.933 0.397 . . . . 0.0 110.391 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.823 HG23 ' O ' ' A' ' 4' ' ' LYS . 84.0 m -127.7 141.6 51.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.07 -178.371 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.523 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 87.6 m-85 -106.66 144.26 33.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.498 178.724 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.464 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 3.3 p -121.04 124.86 45.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.252 0.549 . . . . 0.0 111.861 179.955 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 78.3 t -104.88 110.67 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.128 178.428 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 12.0 m -102.18 114.99 29.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.048 0.451 . . . . 0.0 112.14 -178.308 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.311 -0.852 . . . . 0.0 111.071 179.558 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.428 ' HG2' ' N ' ' A' ' 2' ' ' GLN . 28.1 ttt . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.826 0.346 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.428 ' N ' ' HG2' ' A' ' 1' ' ' MET . 8.3 tt0 -103.29 138.12 40.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.141 179.351 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -124.07 146.08 48.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.972 0.415 . . . . 0.0 111.117 -179.684 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.511 ' O ' ' HA ' ' B' ' 51' ' ' THR . 1.4 tmtp? -97.77 107.71 20.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.025 -179.799 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.784 ' HB ' HG23 ' A' ' 16' ' ' THR . 58.1 t -96.54 124.09 49.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.118 0.485 . . . . 0.0 111.243 -179.561 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.838 HG22 ' OD1' ' A' ' 8' ' ' ASN . 74.4 mt -105.6 125.67 60.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.303 179.814 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mt -108.78 103.48 12.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.699 0.285 . . . . 0.0 110.748 -178.906 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.838 ' OD1' HG22 ' A' ' 6' ' ' ILE . 5.7 m120 -109.27 108.76 19.47 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -179.373 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.423 ' HA2' ' CB ' ' B' ' 56' ' ' GLU . . . -111.97 -170.04 18.44 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.63 179.557 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -71.58 -55.49 7.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.952 0.406 . . . . 0.0 110.885 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.7 ' OG1' HG13 ' B' ' 29' ' ' VAL . 3.0 p -114.85 13.23 17.1 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.353 -179.177 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.931 HD13 ' HB ' ' B' ' 18' ' ' THR . 28.5 tp -139.43 139.58 37.12 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-O 120.952 0.406 . . . . 0.0 111.276 -179.44 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.47 ' H ' HD12 ' A' ' 12' ' ' LEU . 65.9 mttm -145.11 145.48 31.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.317 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.31 -172.1 39.89 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 119.891 -1.147 . . . . 0.0 113.567 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HB3' ' HE3' ' A' ' 4' ' ' LYS . 53.6 mt-10 -142.76 137.9 30.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.483 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.784 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.0 OUTLIER -138.54 168.14 20.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.108 -179.579 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.431 ' O ' HD12 ' B' ' 12' ' ' LEU . 58.5 p -143.26 119.57 10.89 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -178.855 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.945 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.3 t -104.53 138.38 40.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.88 178.786 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -100.26 110.23 22.47 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.557 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -145.71 149.73 34.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.173 0.511 . . . . 0.0 111.868 -179.333 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -50.96 -36.88 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.772 -178.875 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.511 ' OD1' HG23 ' A' ' 25' ' ' THR . 7.3 p-10 -145.65 169.73 17.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.904 0.383 . . . . 0.0 111.364 179.697 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.37 -41.58 72.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.367 -179.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.412 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -62.67 -54.45 39.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.253 179.591 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.671 ' O ' HG23 ' A' ' 29' ' ' VAL . 35.0 p -53.07 -44.25 67.36 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 178.348 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.618 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.75 -53.66 55.32 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.133 177.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 89.0 tt0 -50.68 -49.31 57.63 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.52 179.132 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -59.14 -44.96 92.09 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 121.192 0.52 . . . . 0.0 109.683 179.053 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.694 HG13 ' OG1' ' B' ' 11' ' ' THR . 51.0 t -56.39 -43.23 76.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.567 179.136 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 26' ' ' ALA . 21.2 t -65.58 -48.79 81.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 178.706 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.629 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 27.7 mmtm -46.72 -48.56 20.3 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 121.178 0.513 . . . . 0.0 109.906 178.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.507 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -63.71 -35.5 80.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.823 179.017 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.892 ' CG ' HD23 ' B' ' 12' ' ' LEU . 61.4 t80 -56.39 -57.72 11.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.37 179.613 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -75.4 -40.59 57.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.54 179.633 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.529 HD22 HG22 ' B' ' 39' ' ' VAL . 24.8 t-20 -49.52 -37.79 28.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.55 0.69 . . . . 0.0 109.875 178.689 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.42 ' CB ' ' OE2' ' A' ' 56' ' ' GLU . 1.5 m-20 -94.64 -24.21 17.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.722 -1.127 . . . . 0.0 112.805 -179.52 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.472 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 85.5 m-20 -76.92 -43.66 34.69 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.024 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.35 -119.77 0.0 OUTLIER Glycine 0 C--N 1.333 0.362 0 CA-C-N 114.48 -1.237 . . . . 0.0 116.042 179.802 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.525 HG22 HD22 ' B' ' 35' ' ' ASN . 91.5 t -84.37 -55.32 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 115.541 1.682 . . . . 0.0 115.541 -175.682 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -89.25 27.28 1.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -176.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.09 156.62 53.57 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 119.901 -1.142 . . . . 0.0 112.038 179.301 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -87.14 99.05 11.64 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.83 0.315 . . . . 0.0 110.156 179.398 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.628 ' CH2' ' HD3' ' B' ' 31' ' ' LYS . 6.4 m0 -104.92 125.29 50.77 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.969 0.729 . . . . 0.0 112.969 -178.091 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.402 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 71.0 p -108.84 138.27 45.45 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.516 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.492 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 8.0 t80 -112.45 142.97 44.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.034 0.445 . . . . 0.0 111.56 -178.851 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -123.63 84.34 2.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.695 179.587 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 15.4 m-20 -47.74 -36.13 10.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.619 -179.672 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.89 -32.71 15.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.115 -179.111 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.7 p -128.11 13.72 6.73 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -179.65 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 49.22 33.26 4.91 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.554 -179.543 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.616 HG21 ' CD1' ' B' ' 6' ' ' ILE . 96.5 m -113.66 146.02 40.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.127 0.489 . . . . 0.0 111.763 -178.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.492 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 1.8 m-85 -116.61 137.29 52.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.008 179.465 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.542 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -119.48 127.7 53.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.185 0.517 . . . . 0.0 111.775 179.381 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -107.48 107.25 22.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.544 178.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.59 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 10.1 m -94.52 108.44 20.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.057 0.456 . . . . 0.0 111.801 -178.767 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.423 ' CB ' ' HA2' ' B' ' 9' ' ' GLY . 16.3 tp10 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.317 -0.849 . . . . 0.0 110.995 179.582 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.428 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 28.1 ttt . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.778 0.323 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.428 ' N ' ' HG2' ' B' ' 1' ' ' MET . 8.3 tt0 -103.2 138.14 40.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.085 179.35 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -124.11 146.09 48.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.961 0.41 . . . . 0.0 111.122 -179.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.511 ' O ' ' HA ' ' A' ' 51' ' ' THR . 1.4 tmtp? -97.91 107.9 20.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.05 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.776 ' HB ' HG23 ' B' ' 16' ' ' THR . 57.7 t -96.58 124.01 49.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.079 0.466 . . . . 0.0 111.317 -179.481 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.84 HG22 ' OD1' ' B' ' 8' ' ' ASN . 74.7 mt -105.66 125.64 61.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.21 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 10.7 mt -108.76 103.49 12.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.738 0.304 . . . . 0.0 110.742 -178.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.84 ' OD1' HG22 ' B' ' 6' ' ' ILE . 5.7 m120 -109.28 108.75 19.46 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 -179.438 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.423 ' HA2' ' CB ' ' A' ' 56' ' ' GLU . . . -111.96 -170.03 18.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.546 179.593 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -71.62 -55.52 7.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.935 0.398 . . . . 0.0 110.838 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.694 ' OG1' HG13 ' A' ' 29' ' ' VAL . 3.0 p -114.75 13.2 17.23 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.294 -179.143 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.945 HD13 ' HB ' ' A' ' 18' ' ' THR . 28.8 tp -139.49 139.49 36.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.001 0.429 . . . . 0.0 111.222 -179.305 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.467 ' H ' HD12 ' B' ' 12' ' ' LEU . 65.8 mttm -144.99 145.49 31.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.348 179.929 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.3 -172.18 39.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 119.931 -1.128 . . . . 0.0 113.638 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.421 ' HB3' ' HE3' ' B' ' 4' ' ' LYS . 53.7 mt-10 -142.69 137.99 30.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.972 0.415 . . . . 0.0 110.496 179.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.776 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -138.58 168.17 20.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.086 -179.541 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.436 ' O ' HD12 ' A' ' 12' ' ' LEU . 58.0 p -143.44 119.46 10.68 Favored 'General case' 0 CA--C 1.529 0.148 0 N-CA-C 112.562 0.579 . . . . 0.0 112.562 -178.859 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.931 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.4 t -104.27 138.35 40.84 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.935 178.773 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -100.24 110.19 22.43 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.549 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -145.68 149.72 34.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.267 0.556 . . . . 0.0 111.814 -179.215 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.08 -36.68 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.848 -178.852 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.516 ' OD1' HG23 ' B' ' 25' ' ' THR . 7.3 p-10 -145.82 169.78 17.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.914 0.388 . . . . 0.0 111.275 179.633 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.48 -41.49 73.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.367 -179.619 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.407 ' HB3' ' OD2' ' B' ' 22' ' ' ASP . . . -62.62 -54.49 38.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.205 179.537 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.672 ' O ' HG23 ' B' ' 29' ' ' VAL . 34.4 p -53.13 -44.18 67.51 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.501 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.612 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.84 -53.7 54.8 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 178.005 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -50.53 -49.33 56.13 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.585 179.029 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -59.17 -44.96 92.16 Favored 'General case' 0 CA--C 1.52 -0.203 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.085 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.7 HG13 ' OG1' ' A' ' 11' ' ' THR . 50.7 t -56.42 -43.16 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.584 179.146 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.612 HG23 ' O ' ' B' ' 26' ' ' ALA . 21.3 t -65.7 -48.74 81.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.728 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.628 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 27.8 mmtm -46.68 -48.53 20.08 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.088 0.471 . . . . 0.0 109.934 178.721 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.508 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -63.83 -35.46 80.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.753 179.1 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.886 ' CG ' HD23 ' A' ' 12' ' ' LEU . 61.2 t80 -56.32 -57.79 10.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.393 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -75.4 -40.75 57.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.438 179.697 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.525 HD22 HG22 ' A' ' 39' ' ' VAL . 24.9 t-20 -49.4 -37.74 26.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.552 0.691 . . . . 0.0 109.976 178.644 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.418 ' CB ' ' OE2' ' B' ' 56' ' ' GLU . 1.5 m-20 -94.74 -24.07 17.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.728 -1.123 . . . . 0.0 112.756 -179.501 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 85.4 m-20 -77.08 -43.63 33.63 Favored 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 179.062 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.25 -119.77 0.0 OUTLIER Glycine 0 C--N 1.333 0.4 0 CA-C-N 114.398 -1.274 . . . . 0.0 116.09 179.76 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.529 HG22 HD22 ' A' ' 35' ' ' ASN . 89.6 t -84.38 -55.39 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 -175.692 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -89.16 27.14 1.45 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -176.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.89 156.68 53.49 Favored Glycine 0 CA--C 1.522 0.499 0 C-N-CA 119.939 -1.124 . . . . 0.0 111.989 179.307 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -87.28 99.06 11.69 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.319 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.629 ' CH2' ' HD3' ' A' ' 31' ' ' LYS . 6.5 m0 -105.03 125.39 50.93 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -178.018 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.0 p -108.88 138.32 45.41 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 177.637 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.497 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 8.1 t80 -112.46 142.89 44.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.914 0.388 . . . . 0.0 111.582 -178.814 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -123.6 84.39 2.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.636 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.429 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 15.6 m-20 -47.92 -35.95 11.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.629 -179.619 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.98 -32.65 15.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 112.149 -179.197 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 79.2 p -128.27 13.99 6.66 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -179.703 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt 49.24 33.16 4.85 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.903 0.382 . . . . 0.0 110.536 -179.766 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.61 HG21 ' CD1' ' A' ' 6' ' ' ILE . 96.6 m -113.59 145.93 40.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.821 -178.841 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.497 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 1.8 m-85 -116.6 137.35 52.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.99 179.425 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.544 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -119.56 127.65 53.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.148 0.499 . . . . 0.0 111.782 179.377 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.2 t -107.37 107.24 22.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.575 178.945 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.592 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 10.3 m -94.55 108.53 20.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.009 0.433 . . . . 0.0 111.678 -178.675 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.423 ' CB ' ' HA2' ' A' ' 9' ' ' GLY . 16.4 tp10 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.997 179.535 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.8 mtp . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.931 0.396 . . . . 0.0 111.504 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -112.84 155.04 25.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.252 179.486 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -134.11 149.15 51.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.743 0.306 . . . . 0.0 110.988 -179.816 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.844 ' O ' HG23 ' B' ' 51' ' ' THR . 4.8 ttmp? -107.8 110.88 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.504 179.8 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.712 ' HB ' HG23 ' A' ' 16' ' ' THR . 62.0 t -94.43 134.89 30.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.311 0.577 . . . . 0.0 111.385 -179.53 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.426 HG13 ' CG2' ' B' ' 51' ' ' THR . 74.0 mt -104.39 116.43 48.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.293 179.705 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.462 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.0 mt -94.9 85.09 4.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.523 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.681 ' O ' ' HA ' ' B' ' 55' ' ' THR . 33.5 t-20 -95.32 107.36 19.48 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.273 -178.094 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.414 ' HA3' ' HE1' ' B' ' 33' ' ' PHE . . . -116.51 -165.82 14.2 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.531 179.382 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' HG2' ' CG ' ' B' ' 56' ' ' GLU . 3.2 mmmp? -78.39 -57.8 3.59 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.042 0.449 . . . . 0.0 110.755 179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.459 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 3.0 p -106.43 5.89 29.82 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.236 -179.556 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.997 HD13 ' HB ' ' B' ' 18' ' ' THR . 20.0 tp -136.98 136.27 38.38 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.085 0.469 . . . . 0.0 111.185 -179.502 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.47 ' H ' HD12 ' A' ' 12' ' ' LEU . 27.3 mtpp -145.21 145.62 31.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.015 179.803 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.535 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -179.36 -168.71 38.75 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 119.966 -1.111 . . . . 0.0 113.319 -179.856 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -145.23 137.6 25.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.996 0.427 . . . . 0.0 110.543 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.757 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -134.08 168.37 18.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.895 -179.739 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.431 HG22 ' HA ' ' A' ' 4' ' ' LYS . 66.3 p -143.47 117.28 9.32 Favored 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -179.06 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.005 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.7 t -104.63 141.29 36.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.815 178.287 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -99.31 112.84 24.93 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 179.322 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.545 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -147.66 150.06 33.65 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 121.17 0.509 . . . . 0.0 112.116 -178.921 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.78 -29.79 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.23 -0.896 . . . . 0.0 112.079 -178.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.476 ' OD1' HG23 ' A' ' 25' ' ' THR . 6.5 p-10 -154.82 172.03 18.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.921 0.391 . . . . 0.0 111.486 179.687 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.454 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -57.43 -41.37 80.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.284 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.79 -54.56 33.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 179.435 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.867 ' O ' HG23 ' A' ' 29' ' ' VAL . 35.8 p -53.49 -44.28 68.88 Favored 'General case' 0 N--CA 1.45 -0.425 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.208 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.797 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.84 -51.64 68.86 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.379 178.014 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 88.7 tt0 -54.85 -45.98 74.59 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.596 179.406 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -63.74 -47.2 82.0 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.209 179.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 25' ' ' THR . 96.2 t -53.9 -42.38 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.864 179.204 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 26' ' ' ALA . 40.2 t -62.05 -44.7 99.32 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.435 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.523 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 29.1 mmtp -46.8 -52.1 14.94 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 178.915 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.57 -38.07 80.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.685 179.266 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.889 ' CG ' HD23 ' B' ' 12' ' ' LEU . 52.5 t80 -53.86 -63.02 1.28 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.218 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -68.16 -39.12 82.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.669 179.233 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.515 ' ND2' HG21 ' B' ' 39' ' ' VAL . 34.1 t-20 -51.08 -39.16 55.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.343 0.592 . . . . 0.0 110.19 178.565 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.49 -22.84 17.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.205 -0.907 . . . . 0.0 112.464 -179.799 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.479 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.2 m-20 -80.35 -45.99 16.85 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.857 179.273 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.479 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.29 -116.4 0.0 OUTLIER Glycine 0 C--N 1.333 0.376 0 CA-C-N 114.824 -1.08 . . . . 0.0 115.464 179.772 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.66 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.9 t -110.19 4.51 8.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 -176.138 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.42 13.63 8.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.631 -0.668 . . . . 0.0 112.092 -179.813 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.47 170.96 53.87 Favored Glycine 0 CA--C 1.52 0.364 0 C-N-CA 120.404 -0.903 . . . . 0.0 113.022 -179.681 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 0.5 OUTLIER -97.32 105.68 17.88 Favored 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.207 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.574 ' HH2' HG12 ' B' ' 30' ' ' VAL . 7.5 m0 -103.64 123.92 47.87 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 -178.183 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.498 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 64.7 p -112.0 138.39 48.71 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.882 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.498 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 9.2 t80 -111.7 145.27 39.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.932 0.396 . . . . 0.0 111.757 -178.754 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.463 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.7 t0 -123.45 82.82 2.05 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.78 179.507 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.428 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 14.4 m-20 -45.32 -34.68 3.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.898 -179.593 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.463 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.5 -34.56 17.41 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -178.716 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 p -128.21 16.64 6.65 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 -179.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.5 mttp 47.9 36.88 6.58 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.002 0.43 . . . . 0.0 110.582 -179.563 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.845 HG23 ' O ' ' B' ' 4' ' ' LYS . 93.4 m -122.87 139.0 54.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.251 -179.213 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.5 m-85 -107.17 145.16 32.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.926 179.604 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.498 ' HG1' ' HG1' ' A' ' 44' ' ' THR . 2.9 p -117.26 121.48 41.28 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.162 0.506 . . . . 0.0 111.029 178.732 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.9 t -102.63 107.46 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.407 179.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.681 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 16.9 m -97.76 114.05 25.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.029 179.671 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.522 ' CG ' ' HG2' ' B' ' 10' ' ' LYS . 2.1 pp20? . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.173 -0.918 . . . . 0.0 111.419 -178.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 89.7 mtp . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 121.018 0.437 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -112.94 155.02 25.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.253 179.532 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -134.09 149.13 51.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.332 . . . . 0.0 111.008 -179.77 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.845 ' O ' HG23 ' A' ' 51' ' ' THR . 4.8 ttmp? -107.73 110.85 22.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.503 179.794 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.712 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.8 t -94.47 134.9 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.347 0.594 . . . . 0.0 111.329 -179.511 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.43 HG13 ' CG2' ' A' ' 51' ' ' THR . 74.2 mt -104.43 116.53 48.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.301 179.698 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.0 mt -94.88 84.98 4.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.514 -179.962 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.681 ' O ' ' HA ' ' A' ' 55' ' ' THR . 33.6 t-20 -95.24 107.31 19.4 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.32 -178.171 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.413 ' HA3' ' HE1' ' A' ' 33' ' ' PHE . . . -116.6 -165.78 14.14 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.419 179.425 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.522 ' HG2' ' CG ' ' A' ' 56' ' ' GLU . 3.2 mmmp? -78.3 -57.97 3.5 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.066 0.46 . . . . 0.0 110.689 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.46 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 3.0 p -106.36 5.9 29.98 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.245 -179.524 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 1.005 HD13 ' HB ' ' A' ' 18' ' ' THR . 19.9 tp -136.95 136.32 38.46 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.111 0.481 . . . . 0.0 111.169 -179.573 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.473 ' H ' HD12 ' B' ' 12' ' ' LEU . 27.4 mtpp -145.19 145.53 31.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.112 179.82 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.534 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -179.31 -168.61 38.57 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 119.96 -1.114 . . . . 0.0 113.308 -179.894 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -145.28 137.61 25.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.011 0.434 . . . . 0.0 110.53 179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.757 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -134.03 168.48 18.72 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.888 -179.792 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.432 HG22 ' HA ' ' B' ' 4' ' ' LYS . 66.0 p -143.52 117.29 9.3 Favored 'General case' 0 C--O 1.233 0.191 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -179.057 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.997 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.5 t -104.69 141.26 36.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.809 178.383 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -99.34 113.01 25.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 179.354 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.538 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -147.78 150.13 33.65 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-O 121.24 0.543 . . . . 0.0 112.19 -178.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.83 -29.82 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.11 -178.727 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.469 ' OD1' HG23 ' B' ' 25' ' ' THR . 6.4 p-10 -154.72 172.03 18.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.972 0.415 . . . . 0.0 111.489 179.659 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.453 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -57.45 -41.35 80.35 Favored 'General case' 0 CA--C 1.519 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.365 -179.714 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.78 -54.61 32.44 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.42 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.862 ' O ' HG23 ' B' ' 29' ' ' VAL . 36.2 p -53.29 -44.46 68.31 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.882 -0.785 . . . . 0.0 108.882 178.177 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.796 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.7 -51.74 68.51 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.418 177.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 88.7 tt0 -54.73 -46.2 74.21 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.536 179.39 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -63.57 -47.25 82.26 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.235 179.42 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.862 HG23 ' O ' ' B' ' 25' ' ' THR . 95.9 t -53.8 -42.54 52.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.895 179.138 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.796 HG23 ' O ' ' B' ' 26' ' ' ALA . 40.3 t -62.02 -44.71 99.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.453 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.524 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 29.1 mmtp -46.76 -52.14 14.71 Favored 'General case' 0 C--N 1.34 0.175 0 CA-C-O 121.226 0.536 . . . . 0.0 109.588 178.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.56 -38.18 80.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.636 179.287 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.881 ' CG ' HD23 ' A' ' 12' ' ' LEU . 52.1 t80 -53.72 -63.05 1.28 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.269 179.374 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -68.16 -39.15 82.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.653 179.259 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.516 ' ND2' HG21 ' A' ' 39' ' ' VAL . 34.3 t-20 -50.97 -39.1 54.59 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.461 0.648 . . . . 0.0 110.328 178.481 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.66 -22.88 17.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.332 -179.704 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.481 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.4 m-20 -80.28 -46.14 16.7 Favored 'General case' 0 CA--C 1.521 -0.153 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 179.329 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.481 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.34 -116.32 0.0 OUTLIER Glycine 0 CA--C 1.52 0.367 0 CA-C-N 114.805 -1.089 . . . . 0.0 115.403 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.652 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.9 t -110.12 4.39 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 114.342 1.238 . . . . 0.0 114.342 -176.125 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.45 13.72 8.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 118.56 0.618 . . . . 0.0 112.16 -179.814 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.45 170.94 53.87 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 120.475 -0.869 . . . . 0.0 113.037 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 0.5 OUTLIER -97.35 105.68 17.87 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.239 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.579 ' HH2' HG12 ' A' ' 30' ' ' VAL . 7.6 m0 -103.68 123.96 47.96 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -178.218 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.45 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 63.8 p -112.11 138.39 48.84 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 178.026 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.496 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 9.2 t80 -111.78 145.33 39.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.952 0.406 . . . . 0.0 111.756 -178.735 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.461 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.5 t0 -123.64 82.91 2.07 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.684 179.662 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.433 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 14.5 m-20 -45.42 -34.57 3.18 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.833 -179.568 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.461 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.62 -34.51 18.3 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -178.716 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 67.9 p -128.18 16.67 6.67 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 15.5 mttp 47.93 36.85 6.62 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.013 0.435 . . . . 0.0 110.551 -179.587 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.844 HG23 ' O ' ' A' ' 4' ' ' LYS . 93.3 m -122.86 139.05 54.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.265 -179.226 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.496 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.4 m-85 -107.22 145.1 33.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.976 179.678 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.45 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 2.8 p -117.2 121.52 41.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.17 0.51 . . . . 0.0 110.996 178.771 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 55.0 t -102.55 107.45 21.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.499 179.73 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.681 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 17.3 m -97.9 114.1 26.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.012 179.761 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.526 ' CG ' ' HG2' ' A' ' 10' ' ' LYS . 2.1 pp20? . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.234 -0.888 . . . . 0.0 111.483 -178.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.811 0.338 . . . . 0.0 111.332 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -107.61 144.35 34.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.504 179.718 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.427 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 17.2 m-85 -127.52 146.75 50.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.614 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.814 ' O ' HG23 ' B' ' 51' ' ' THR . 88.7 tttt -107.92 111.25 23.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.956 -179.668 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.602 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.3 t -94.78 127.7 46.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.284 0.564 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.407 ' HB ' HG22 ' B' ' 53' ' ' THR . 67.8 mt -101.71 122.2 53.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.852 -179.936 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.427 ' CD1' ' CD1' ' B' ' 7' ' ' LEU . 8.8 mt -101.36 82.45 2.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.704 179.79 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.563 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.8 t-20 -93.65 109.83 21.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.881 -178.268 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.09 -168.21 13.99 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.951 179.329 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' NZ ' ' HB3' ' A' ' 10' ' ' LYS . 7.6 mtpm? -86.69 -56.94 3.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.05 0.452 . . . . 0.0 110.231 179.504 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.3 p -96.22 -5.65 39.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.638 179.414 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.962 HD13 ' HB ' ' B' ' 18' ' ' THR . 13.6 tp -134.88 135.75 41.87 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.047 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.545 ' H ' HD12 ' A' ' 12' ' ' LEU . 27.5 mtpp -144.85 144.34 31.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.543 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.87 -168.8 39.35 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.138 -1.03 . . . . 0.0 113.274 -179.897 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -145.66 151.97 38.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.875 0.369 . . . . 0.0 110.698 179.877 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.746 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -150.53 168.98 22.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.009 -179.47 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 4' ' ' LYS . 63.2 p -143.79 120.93 11.47 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 -179.027 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.951 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.1 t -108.33 147.57 31.3 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.762 178.589 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -108.08 118.53 37.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.65 0.262 . . . . 0.0 110.389 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.567 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.24 152.12 35.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.19 0.519 . . . . 0.0 112.007 -179.34 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -50.9 -28.4 6.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.538 -179.229 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.458 ' OD1' HG23 ' A' ' 25' ' ' THR . 5.7 p-10 -153.01 170.79 19.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.976 0.417 . . . . 0.0 111.511 179.561 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.548 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -57.29 -41.65 80.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.341 -179.672 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.14 -55.32 26.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.045 179.238 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.9 ' O ' HG23 ' A' ' 29' ' ' VAL . 29.9 p -51.69 -45.06 63.35 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.396 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.653 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.83 -52.26 65.83 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 178.12 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.539 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 44.2 tt0 -52.81 -48.71 66.73 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.748 178.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -59.0 -40.72 85.75 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.732 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 25' ' ' THR . 62.7 t -60.77 -34.86 60.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.966 179.272 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 26' ' ' ALA . 10.6 t -67.29 -49.44 72.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.539 ' HD3' ' O ' ' A' ' 27' ' ' GLU . 3.5 mptp? -47.27 -45.45 23.97 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.165 0.507 . . . . 0.0 109.925 178.354 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.549 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 8.2 tt0 -68.85 -39.79 79.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.717 179.329 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.886 ' CG ' HD23 ' B' ' 12' ' ' LEU . 65.3 t80 -51.3 -50.1 60.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.42 178.64 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.493 ' CE2' HG12 ' A' ' 30' ' ' VAL . 25.2 m-85 -77.19 -36.8 54.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.15 178.496 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.555 HD22 HG21 ' B' ' 39' ' ' VAL . 25.2 t-20 -50.52 -40.64 52.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.491 0.662 . . . . 0.0 109.755 178.16 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -94.52 -24.34 17.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.738 -1.119 . . . . 0.0 112.719 -179.356 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 33' ' ' PHE . 90.7 m-20 -78.74 -46.61 18.54 Favored 'General case' 0 CA--C 1.518 -0.257 0 C-N-CA 120.252 -0.579 . . . . 0.0 109.442 178.718 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.471 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.57 -120.34 0.0 OUTLIER Glycine 0 C--N 1.335 0.508 0 CA-C-N 114.886 -1.052 . . . . 0.0 115.584 179.327 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 39' ' ' VAL . 43.0 t -111.41 4.57 8.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 -176.592 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.41 12.27 8.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.812 -0.555 . . . . 0.0 111.971 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.44 174.25 54.3 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 120.571 -0.824 . . . . 0.0 113.078 -179.477 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -95.55 102.91 14.75 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.743 0.306 . . . . 0.0 110.515 179.591 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.535 ' HH2' HG12 ' B' ' 30' ' ' VAL . 6.4 m0 -102.89 122.05 43.75 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 -178.39 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 51.7 p -105.19 133.79 49.38 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 177.563 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 15.7 t80 -111.03 144.9 39.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.024 0.44 . . . . 0.0 112.013 -178.491 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.47 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.4 t0 -123.79 81.72 1.94 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.241 178.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.12 -36.04 12.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.814 0.34 . . . . 0.0 111.586 -179.329 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.47 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.24 -29.43 9.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.888 -179.485 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.5 p -128.27 11.4 6.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.671 -0.241 . . . . 0.0 111.597 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm 49.47 34.29 6.59 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.01 0.433 . . . . 0.0 110.752 -179.779 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.809 HG23 ' O ' ' B' ' 4' ' ' LYS . 97.4 m -120.51 136.77 54.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.95 -179.371 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.548 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 3.3 m-85 -106.29 144.6 32.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.159 179.62 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.407 HG22 ' HB ' ' B' ' 6' ' ' ILE . 2.9 p -121.25 128.54 52.49 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.213 0.53 . . . . 0.0 111.089 179.084 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.417 HG12 ' OD1' ' A' ' 37' ' ' ASN . 47.1 t -107.66 109.54 28.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.578 179.196 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.568 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 9.2 m -100.61 115.81 31.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.104 0.478 . . . . 0.0 111.718 -178.874 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.274 -0.869 . . . . 0.0 110.987 179.774 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 93.6 mmm . . . . . 0 N--CA 1.488 1.428 0 CA-C-O 120.863 0.363 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -107.56 144.41 34.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.543 179.67 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.42 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 17.3 m-85 -127.47 146.8 50.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.664 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.809 ' O ' HG23 ' A' ' 51' ' ' THR . 88.6 tttt -107.93 111.3 23.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.0 -179.75 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.597 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.3 t -94.72 127.69 46.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.205 0.526 . . . . 0.0 110.962 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.407 ' HB ' HG22 ' A' ' 53' ' ' THR . 67.8 mt -101.78 122.23 53.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.874 -179.892 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 8.9 mt -101.38 82.29 2.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.722 179.907 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.568 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.6 t-20 -93.59 109.78 21.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.871 -178.201 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.03 -168.13 13.98 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.999 179.302 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.481 ' NZ ' ' HB3' ' B' ' 10' ' ' LYS . 7.7 mtpm? -86.75 -56.93 3.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.086 0.47 . . . . 0.0 110.214 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 16.5 p -96.24 -5.77 39.57 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.527 179.482 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.951 HD13 ' HB ' ' A' ' 18' ' ' THR . 13.4 tp -134.83 135.78 41.98 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.015 -179.771 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.545 ' H ' HD12 ' B' ' 12' ' ' LEU . 27.6 mtpp -144.85 144.34 31.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.517 179.93 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.87 -168.77 39.29 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.134 -1.032 . . . . 0.0 113.27 -179.908 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -145.72 151.91 38.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.862 0.363 . . . . 0.0 110.751 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.753 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -150.52 169.01 22.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.998 -179.451 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.525 HG22 ' HA ' ' B' ' 4' ' ' LYS . 63.1 p -143.77 120.89 11.45 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -178.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.962 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.0 t -108.43 147.49 31.54 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.726 178.56 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -107.93 118.56 37.06 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 -179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.569 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -149.29 152.09 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.09 0.471 . . . . 0.0 112.07 -179.363 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.88 -28.51 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.437 -179.191 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.46 ' OD1' HG23 ' B' ' 25' ' ' THR . 5.8 p-10 -152.97 170.94 19.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.88 0.371 . . . . 0.0 111.552 179.594 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.548 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -57.38 -41.63 80.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.327 -179.679 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.09 -55.53 24.63 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 179.313 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.9 ' O ' HG23 ' B' ' 29' ' ' VAL . 30.8 p -51.52 -45.16 62.82 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.442 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.651 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.8 -52.37 65.38 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.144 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.543 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 44.1 tt0 -52.79 -48.69 66.68 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.652 179.042 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -59.01 -40.73 85.84 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.899 179.714 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.9 HG23 ' O ' ' B' ' 25' ' ' THR . 62.4 t -60.74 -34.81 60.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.021 179.262 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.651 HG23 ' O ' ' B' ' 26' ' ' ALA . 10.7 t -67.4 -49.45 71.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 178.956 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.543 ' HD3' ' O ' ' B' ' 27' ' ' GLU . 3.5 mptp? -47.31 -45.49 24.38 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.302 0.572 . . . . 0.0 109.836 178.461 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.543 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 8.2 tt0 -68.88 -39.75 79.61 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.693 179.471 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.89 ' CG ' HD23 ' A' ' 12' ' ' LEU . 64.9 t80 -51.28 -50.01 60.12 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.508 178.495 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.499 ' CE2' HG12 ' B' ' 30' ' ' VAL . 25.2 m-85 -77.32 -36.85 53.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.99 178.6 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.559 HD22 HG21 ' A' ' 39' ' ' VAL . 25.0 t-20 -50.56 -40.66 52.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.553 0.692 . . . . 0.0 109.699 178.29 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -94.53 -24.22 17.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.812 -179.425 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' B' ' 33' ' ' PHE . 90.7 m-20 -78.87 -46.45 18.52 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.408 178.667 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.62 -120.34 0.0 OUTLIER Glycine 0 C--N 1.334 0.472 0 N-CA-C 115.55 0.98 . . . . 0.0 115.55 179.311 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' B' ' 39' ' ' VAL . 43.2 t -111.48 4.73 8.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -176.661 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.4 12.15 8.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.893 -0.504 . . . . 0.0 111.939 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.42 174.26 54.32 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.516 -0.849 . . . . 0.0 113.124 -179.504 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -95.6 102.66 14.48 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.736 0.303 . . . . 0.0 110.563 179.71 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.541 ' HH2' HG12 ' A' ' 30' ' ' VAL . 6.4 m0 -102.74 122.12 43.83 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.36 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.411 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 49.8 p -105.19 133.9 49.19 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 177.535 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 15.6 t80 -111.03 145.02 39.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.05 0.453 . . . . 0.0 112.017 -178.538 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.47 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.4 t0 -123.99 81.86 1.96 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.161 178.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.2 -36.05 12.98 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.567 -179.37 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.47 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.19 -29.42 9.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.864 -179.467 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 76.4 p -128.25 11.3 6.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.601 0.238 . . . . 0.0 111.577 -179.923 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm 49.53 34.2 6.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.024 0.44 . . . . 0.0 110.761 -179.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.814 HG23 ' O ' ' A' ' 4' ' ' LYS . 97.4 m -120.5 136.8 54.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.025 -179.496 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.548 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 3.3 m-85 -106.27 144.56 32.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.17 179.683 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.411 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 2.9 p -121.22 128.63 52.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.194 0.521 . . . . 0.0 111.083 179.112 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.414 HG12 ' OD1' ' B' ' 37' ' ' ASN . 47.4 t -107.74 109.6 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.563 179.226 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.563 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 9.4 m -100.59 115.86 31.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.949 0.404 . . . . 0.0 111.691 -178.792 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.92 179.878 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.809 0.338 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -101.99 135.86 42.82 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.673 179.694 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.412 ' O ' ' HA ' ' A' ' 17' ' ' THR . 74.5 m-85 -129.87 145.45 51.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.588 179.904 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' B' ' 51' ' ' THR . 38.5 ttpt -112.57 110.93 21.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.952 0.406 . . . . 0.0 110.547 179.829 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.707 HG13 ' O ' ' B' ' 52' ' ' PHE . 58.9 t -93.95 131.64 40.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.368 0.604 . . . . 0.0 111.091 -179.481 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.608 ' CD1' HG21 ' B' ' 51' ' ' THR . 82.9 mt -100.93 126.76 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.328 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.514 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.0 mt -105.85 85.79 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.324 -179.173 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.729 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.3 m120 -89.87 102.07 14.77 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.958 -0.565 . . . . 0.0 112.416 -178.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.15 149.99 17.99 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.233 179.165 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -44.81 -56.6 4.36 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.886 0.374 . . . . 0.0 111.833 -179.598 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.474 ' HB ' HG11 ' B' ' 29' ' ' VAL . 9.5 p -99.42 -4.88 30.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.984 -178.762 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.939 HD13 ' HB ' ' B' ' 18' ' ' THR . 13.6 tp -135.25 136.44 41.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.663 0.268 . . . . 0.0 110.985 -179.532 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.562 ' H ' HD12 ' A' ' 12' ' ' LEU . 51.2 mtmt -145.34 144.72 30.87 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.521 179.623 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.546 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.8 -168.75 39.31 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.073 -1.061 . . . . 0.0 113.55 179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.418 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 54.4 mp0 -143.78 140.18 29.77 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.864 0.364 . . . . 0.0 110.382 179.708 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.794 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -137.86 168.79 18.97 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.189 -179.611 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.488 HG22 ' HA ' ' A' ' 4' ' ' LYS . 72.3 p -143.75 119.55 10.54 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -178.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.94 ' HB ' HD13 ' B' ' 12' ' ' LEU . 8.9 t -108.15 144.2 35.88 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.581 178.757 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -103.77 115.24 30.11 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.27 -0.271 . . . . 0.0 110.27 179.607 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.653 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -147.55 149.94 33.55 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-O 121.232 0.539 . . . . 0.0 111.984 -179.264 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.5 t -51.06 -36.98 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.965 -178.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.67 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -146.18 171.86 14.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.941 0.401 . . . . 0.0 111.161 179.778 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.24 -42.85 87.28 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.506 -179.447 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.07 -55.02 33.31 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 179.566 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.872 ' O ' HG23 ' A' ' 29' ' ' VAL . 76.1 p -51.9 -46.02 64.43 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 178.361 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.12 -53.79 54.34 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 177.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.479 ' OE2' ' CE3' ' B' ' 43' ' ' TRP . 15.7 tp10 -49.19 -48.61 45.09 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.593 178.621 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -64.17 -45.76 86.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.28 179.397 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 25' ' ' THR . 84.6 t -59.87 -40.05 81.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.273 179.294 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 26' ' ' ALA . 46.7 t -66.57 -49.3 76.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 178.523 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.513 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 10.0 mtpm? -49.62 -43.78 46.89 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.047 0.451 . . . . 0.0 110.003 178.666 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.405 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 3.5 tp-100 -60.41 -35.87 76.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.327 178.847 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.81 ' CG ' HD23 ' B' ' 12' ' ' LEU . 23.1 t80 -54.13 -63.71 1.06 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.142 179.207 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.479 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 23.8 m-85 -68.3 -39.78 81.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.546 179.486 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.462 HD22 HG22 ' B' ' 39' ' ' VAL . 28.9 t-20 -51.08 -38.09 49.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.523 0.678 . . . . 0.0 109.503 178.336 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -94.51 -26.03 16.6 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 114.752 -1.113 . . . . 0.0 112.606 -179.622 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.458 ' O ' ' C ' ' A' ' 38' ' ' GLY . 86.9 m-20 -77.33 -43.35 33.32 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.186 0.517 . . . . 0.0 109.818 179.148 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.458 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.85 -117.97 0.0 OUTLIER Glycine 0 C--N 1.332 0.324 0 CA-C-N 114.43 -1.259 . . . . 0.0 115.666 179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.478 HG22 HD22 ' B' ' 35' ' ' ASN . 69.9 t -84.34 -55.53 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 115.21 1.559 . . . . 0.0 115.21 -176.005 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -88.21 25.89 1.52 Allowed 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -177.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.73 159.26 53.76 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 119.895 -1.145 . . . . 0.0 112.01 179.404 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -90.43 98.74 11.95 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.814 0.307 . . . . 0.0 110.306 179.528 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.549 ' CH2' HG12 ' B' ' 30' ' ' VAL . 5.4 m0 -101.36 120.74 40.72 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 -178.368 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 67.2 p -104.35 133.44 49.24 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.814 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.501 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 14.2 t80 -108.69 141.97 39.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.036 0.446 . . . . 0.0 111.868 -178.851 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -123.59 81.41 1.9 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.353 178.944 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.11 -34.37 5.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.545 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.03 -32.52 15.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.344 -0.389 . . . . 0.0 112.025 -179.402 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -128.1 13.02 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -179.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm 53.58 31.94 13.45 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 120.829 0.347 . . . . 0.0 110.422 -179.777 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.602 HG21 ' CD1' ' B' ' 6' ' ' ILE . 96.8 m -111.78 136.3 51.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.637 -178.896 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.71 ' O ' HG13 ' B' ' 5' ' ' VAL . 4.8 m-85 -108.7 95.35 5.59 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.232 0.539 . . . . 0.0 111.693 179.798 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.5 p -75.42 127.27 32.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.891 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -117.86 121.74 68.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.462 178.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.737 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 19.4 m -117.25 128.77 55.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.89 0.376 . . . . 0.0 111.636 -179.108 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.864 -179.75 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.947 0.403 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -102.08 135.98 42.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.586 179.79 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.415 ' O ' ' HA ' ' B' ' 17' ' ' THR . 75.8 m-85 -129.98 145.75 51.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.542 179.882 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.504 ' O ' ' HA ' ' A' ' 51' ' ' THR . 38.5 ttpt -112.77 110.92 21.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.538 179.933 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.71 HG13 ' O ' ' A' ' 52' ' ' PHE . 57.8 t -93.91 131.67 40.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.274 0.559 . . . . 0.0 111.147 -179.528 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.602 ' CD1' HG21 ' A' ' 51' ' ' THR . 82.6 mt -100.91 126.68 54.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.326 179.633 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.517 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.2 mt -105.92 85.89 2.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.355 -179.274 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.737 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.4 m120 -89.74 102.03 14.72 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.386 -178.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.02 150.1 18.01 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.25 179.084 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -44.99 -56.55 4.52 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -179.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.472 ' HB ' HG11 ' A' ' 29' ' ' VAL . 9.7 p -99.31 -5.2 30.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.007 -178.748 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.94 HD13 ' HB ' ' A' ' 18' ' ' THR . 13.6 tp -134.99 136.51 42.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.639 0.256 . . . . 0.0 111.03 -179.543 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.562 ' H ' HD12 ' B' ' 12' ' ' LEU . 51.4 mtmt -145.43 144.61 30.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.517 179.685 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.543 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.9 -169.0 39.64 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.069 -1.063 . . . . 0.0 113.599 -179.877 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.416 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 54.5 mp0 -143.67 140.08 29.88 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.024 0.44 . . . . 0.0 110.277 179.664 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.794 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -137.64 168.84 18.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.22 -179.606 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.493 HG22 ' HA ' ' B' ' 4' ' ' LYS . 72.5 p -143.83 119.64 10.55 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 -178.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.939 ' HB ' HD13 ' A' ' 12' ' ' LEU . 8.9 t -108.26 144.08 36.22 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.65 178.684 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -103.73 115.19 30.03 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 179.665 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.647 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -147.52 149.92 33.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.19 0.519 . . . . 0.0 112.041 -179.245 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.4 t -51.17 -36.78 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.993 -178.781 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.671 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -146.19 171.81 14.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.776 0.322 . . . . 0.0 111.287 179.64 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.99 87.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.518 -179.441 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.8 -55.3 31.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.501 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.872 ' O ' HG23 ' B' ' 29' ' ' VAL . 74.8 p -51.67 -46.12 63.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.411 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.764 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.14 -53.64 55.98 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 177.885 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.473 ' OE2' ' CE3' ' A' ' 43' ' ' TRP . 15.7 tp10 -49.27 -48.48 45.94 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.55 178.627 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -64.32 -45.53 87.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.388 179.373 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.872 HG23 ' O ' ' B' ' 25' ' ' THR . 84.3 t -60.1 -40.02 82.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.202 179.256 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.764 HG23 ' O ' ' B' ' 26' ' ' ALA . 46.7 t -66.63 -49.34 75.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 178.553 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.507 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 10.0 mtpm? -49.61 -43.81 46.79 Favored 'General case' 0 CA--C 1.522 -0.109 0 CA-C-O 121.036 0.446 . . . . 0.0 109.954 178.697 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.403 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 3.6 tp-100 -60.27 -35.87 76.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.37 178.781 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.803 ' CG ' HD23 ' A' ' 12' ' ' LEU . 23.4 t80 -54.22 -63.71 1.06 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.024 179.264 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.479 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 23.8 m-85 -68.35 -39.72 81.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.488 179.595 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.478 HD22 HG22 ' A' ' 39' ' ' VAL . 28.9 t-20 -51.05 -38.24 50.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.505 0.669 . . . . 0.0 109.416 178.335 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -94.47 -25.89 16.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.765 -1.107 . . . . 0.0 112.594 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.459 ' O ' ' C ' ' B' ' 38' ' ' GLY . 86.9 m-20 -77.53 -43.26 32.6 Favored 'General case' 0 CA--C 1.52 -0.19 0 CA-C-O 121.119 0.485 . . . . 0.0 109.701 179.263 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.459 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.93 -117.97 0.0 OUTLIER Glycine 0 C--N 1.331 0.272 0 CA-C-N 114.48 -1.236 . . . . 0.0 115.685 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.462 HG22 HD22 ' A' ' 35' ' ' ASN . 68.8 t -84.3 -55.21 7.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 -175.985 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -88.57 25.89 1.6 Allowed 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -177.186 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.57 159.28 53.68 Favored Glycine 0 CA--C 1.522 0.486 0 C-N-CA 119.889 -1.148 . . . . 0.0 112.078 179.286 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -90.6 98.69 11.92 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.825 0.313 . . . . 0.0 110.306 179.607 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.549 ' CH2' HG12 ' A' ' 30' ' ' VAL . 5.4 m0 -101.08 120.74 40.64 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.776 0.658 . . . . 0.0 112.776 -178.43 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 67.3 p -104.34 133.79 48.64 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 177.723 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 14.2 t80 -109.02 141.98 40.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.111 0.481 . . . . 0.0 111.834 -178.914 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -123.59 81.45 1.9 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.227 179.073 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -47.02 -34.49 5.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.551 -179.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.1 -32.42 15.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.324 -0.398 . . . . 0.0 112.016 -179.23 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 72.4 p -128.0 12.88 6.74 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 -179.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm 53.63 31.91 13.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.851 0.358 . . . . 0.0 110.484 -179.733 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.608 HG21 ' CD1' ' A' ' 6' ' ' ILE . 96.3 m -111.69 136.32 51.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.585 -178.895 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.707 ' O ' HG13 ' A' ' 5' ' ' VAL . 4.9 m-85 -108.82 95.51 5.7 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-O 121.322 0.582 . . . . 0.0 111.63 179.679 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.6 p -75.41 126.97 32.09 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.296 -0.866 . . . . 0.0 111.965 179.703 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -117.72 121.94 68.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.383 178.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.729 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 19.5 m -117.28 128.76 55.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 0.0 111.582 -179.032 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.946 -179.754 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.403 ' HE2' ' OH ' ' A' ' 3' ' ' TYR . 46.4 ttp . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.756 0.312 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -98.92 136.96 38.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.035 179.309 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.44 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 19.8 m-85 -127.25 143.45 51.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.947 0.403 . . . . 0.0 111.027 -179.626 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.823 ' O ' HG23 ' B' ' 51' ' ' THR . 62.5 tttp -108.75 109.82 21.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.412 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.681 HG13 ' O ' ' B' ' 52' ' ' PHE . 61.7 t -94.84 137.56 22.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.06 0.457 . . . . 0.0 111.12 -179.701 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.438 HG13 ' CG2' ' B' ' 51' ' ' THR . 82.8 mt -109.1 125.8 66.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.246 179.483 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.478 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.2 mt -102.2 82.31 2.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.804 -179.675 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.687 ' O ' ' HA ' ' B' ' 55' ' ' THR . 30.2 t-20 -91.5 108.95 20.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.692 -178.457 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.82 -169.29 15.1 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.139 179.347 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -80.76 -53.27 6.65 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.921 0.391 . . . . 0.0 110.309 179.407 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.431 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 17.5 p -104.84 1.08 28.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.042 -179.791 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.002 HD13 ' HB ' ' B' ' 18' ' ' THR . 20.9 tp -137.98 137.4 37.88 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.043 0.449 . . . . 0.0 111.682 -179.07 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.486 ' H ' HD12 ' A' ' 12' ' ' LEU . 1.2 mptp? -142.56 144.75 33.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.935 179.284 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.431 ' HA3' ' HB ' ' B' ' 16' ' ' THR . . . -173.28 -176.82 42.08 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 119.91 -1.138 . . . . 0.0 113.505 -179.988 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -140.71 135.27 31.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 110.279 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.796 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -137.27 166.87 22.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.342 -179.182 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 4' ' ' LYS . 54.8 p -143.77 119.55 10.53 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -179.12 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.997 ' HB ' HD13 ' B' ' 12' ' ' LEU . 15.4 t -108.14 146.19 33.05 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.961 178.939 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -106.23 117.01 32.92 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.678 179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.613 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -148.41 150.58 33.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.171 0.51 . . . . 0.0 111.891 -179.737 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.2 t -50.84 -27.19 4.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.067 -178.83 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.582 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -153.9 175.46 13.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.766 0.317 . . . . 0.0 111.319 179.592 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.61 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -60.26 -42.87 96.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.397 -179.595 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 28' ' ' LYS . . . -62.82 -55.26 27.95 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 179.6 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.87 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.9 p -50.68 -45.6 58.27 Favored 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.247 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.692 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.97 -54.38 46.76 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.292 177.949 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.501 ' OE2' ' HD3' ' A' ' 31' ' ' LYS . 5.1 tm-20 -52.82 -46.39 67.71 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.367 179.004 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 74.7 mmtt -62.25 -43.93 97.71 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.28 179.15 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 25' ' ' THR . 95.8 t -59.03 -39.03 77.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.136 179.137 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 26' ' ' ALA . 38.9 t -64.13 -47.57 89.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 178.486 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.501 ' HD3' ' OE2' ' A' ' 27' ' ' GLU . 32.0 mmmt -47.46 -50.09 23.91 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-O 121.219 0.533 . . . . 0.0 109.843 178.85 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.416 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 3.7 tp-100 -59.32 -37.95 79.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.642 179.411 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.925 ' CG ' HD23 ' B' ' 12' ' ' LEU . 42.7 t80 -53.37 -64.23 0.89 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.399 -0.818 . . . . 0.0 110.102 179.108 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -67.46 -39.15 85.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.633 179.358 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 31.7 t-20 -50.78 -38.78 50.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.475 0.655 . . . . 0.0 109.912 178.519 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -94.3 -23.28 17.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.931 -1.031 . . . . 0.0 112.501 -179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.468 ' O ' ' C ' ' A' ' 38' ' ' GLY . 86.7 m-20 -80.64 -46.41 15.68 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 120.663 -0.415 . . . . 0.0 109.953 179.324 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.468 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.99 -115.66 0.0 OUTLIER Glycine 0 C--N 1.333 0.362 0 N-CA-C 115.612 1.005 . . . . 0.0 115.612 179.831 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 39' ' ' VAL . 26.0 t -105.85 0.05 10.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -176.072 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.79 15.0 8.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 119.064 0.847 . . . . 0.0 112.208 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.99 166.67 53.06 Favored Glycine 0 CA--C 1.519 0.302 0 C-N-CA 120.62 -0.8 . . . . 0.0 113.406 -179.387 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 45.1 mp0 -94.8 100.7 12.55 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.245 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.532 ' HH2' HG12 ' B' ' 30' ' ' VAL . 8.0 m0 -99.98 121.6 41.61 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.605 0.595 . . . . 0.0 112.605 -178.117 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.8 p -101.39 134.49 44.4 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.097 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.532 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 3.7 t80 -107.87 137.79 45.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.792 0.33 . . . . 0.0 111.44 -178.769 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -123.42 81.78 1.93 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.51 179.519 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.426 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 7.5 m-20 -46.82 -36.33 7.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.441 -179.652 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.41 -32.08 25.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.089 -179.29 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 82.1 p -123.04 11.59 9.55 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.313 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HA ' ' CE ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER 50.26 36.83 13.53 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.852 0.358 . . . . 0.0 110.728 179.862 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.827 HG23 ' O ' ' B' ' 4' ' ' LYS . 99.5 m -123.66 143.49 50.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.8 -178.66 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.681 ' O ' HG13 ' B' ' 5' ' ' VAL . 90.0 m-85 -111.46 94.91 5.2 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-O 121.274 0.559 . . . . 0.0 111.846 179.696 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -72.74 127.6 33.04 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.252 179.4 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 67.2 t -111.99 111.05 34.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.237 179.602 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.685 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 29.8 m -103.36 118.99 38.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.186 -179.561 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.406 ' HG3' ' HA2' ' B' ' 9' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.832 -179.66 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 46.6 ttp . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.857 0.361 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -98.86 136.95 38.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.299 -0.41 . . . . 0.0 109.983 179.357 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.445 ' CE2' ' HA ' ' B' ' 23' ' ' ALA . 19.9 m-85 -127.33 143.48 51.22 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.888 0.375 . . . . 0.0 111.083 -179.641 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.827 ' O ' HG23 ' A' ' 51' ' ' THR . 62.4 tttp -108.85 109.77 20.96 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.377 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.681 HG13 ' O ' ' A' ' 52' ' ' PHE . 61.4 t -94.74 137.56 22.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.067 0.46 . . . . 0.0 111.01 -179.669 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.433 HG13 ' CG2' ' A' ' 51' ' ' THR . 82.8 mt -109.01 125.97 66.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.249 179.348 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.2 mt -102.35 82.21 2.16 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.864 -179.762 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.685 ' O ' ' HA ' ' A' ' 55' ' ' THR . 30.4 t-20 -91.42 108.91 20.21 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.758 -178.466 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.406 ' HA2' ' HG3' ' A' ' 56' ' ' GLU . . . -116.85 -169.34 15.1 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.541 -0.837 . . . . 0.0 112.123 179.473 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -80.83 -53.16 6.73 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.971 0.415 . . . . 0.0 110.303 179.42 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.432 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 17.5 p -104.92 1.06 28.49 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.029 -179.775 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.997 HD13 ' HB ' ' A' ' 18' ' ' THR . 21.3 tp -137.93 137.53 38.09 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 121.054 0.454 . . . . 0.0 111.657 -179.07 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.482 ' H ' HD12 ' B' ' 12' ' ' LEU . 1.2 mptp? -142.62 144.74 32.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.902 179.318 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.433 ' HA3' ' HB ' ' A' ' 16' ' ' THR . . . -173.25 -176.88 42.09 Favored Glycine 0 N--CA 1.453 -0.189 0 C-N-CA 119.943 -1.123 . . . . 0.0 113.433 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -140.71 135.34 31.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.88 0.371 . . . . 0.0 110.302 179.777 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.795 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -137.36 166.9 22.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.271 -179.204 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.525 HG22 ' HA ' ' B' ' 4' ' ' LYS . 56.3 p -143.75 119.43 10.46 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -179.117 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 1.002 ' HB ' HD13 ' A' ' 12' ' ' LEU . 15.3 t -107.98 146.39 32.54 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.984 178.912 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -106.48 116.95 32.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.657 0.265 . . . . 0.0 110.652 179.871 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.614 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -148.15 150.5 33.92 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.122 0.487 . . . . 0.0 111.906 -179.684 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.2 t -50.82 -27.18 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.012 -178.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.581 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -153.99 175.38 13.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.794 0.331 . . . . 0.0 111.298 179.646 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.61 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -60.2 -42.9 96.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.429 -179.556 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' B' ' 28' ' ' LYS . . . -62.69 -55.34 27.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.435 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.873 ' O ' HG23 ' B' ' 29' ' ' VAL . 51.6 p -50.54 -45.76 57.04 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.198 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.704 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.0 -54.44 46.08 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.208 178.017 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.507 ' OE2' ' HD3' ' B' ' 31' ' ' LYS . 5.1 tm-20 -52.83 -46.34 67.72 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.255 179.073 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' B' ' 24' ' ' ALA . 74.7 mmtt -62.26 -44.2 97.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.204 179.272 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.873 HG23 ' O ' ' B' ' 25' ' ' THR . 97.0 t -58.78 -39.09 75.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.087 179.24 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.704 HG23 ' O ' ' B' ' 26' ' ' ALA . 38.9 t -64.06 -47.59 89.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.455 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.507 ' HD3' ' OE2' ' B' ' 27' ' ' GLU . 31.9 mmmt -47.4 -50.08 23.33 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.199 0.523 . . . . 0.0 109.882 178.821 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.412 ' HA ' ' NE2' ' B' ' 32' ' ' GLN . 3.7 tp-100 -59.39 -38.0 79.43 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.699 179.404 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.918 ' CG ' HD23 ' A' ' 12' ' ' LEU . 42.7 t80 -53.37 -64.16 0.91 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.05 179.105 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -67.48 -39.14 85.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.593 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' B' ' 31' ' ' LYS . 32.0 t-20 -50.93 -38.73 51.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.413 0.625 . . . . 0.0 109.912 178.533 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -94.33 -23.17 17.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.406 -179.89 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.472 ' O ' ' C ' ' B' ' 38' ' ' GLY . 86.6 m-20 -80.77 -46.34 15.57 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.605 -0.438 . . . . 0.0 109.958 179.311 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.472 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.19 -115.53 0.0 OUTLIER Glycine 0 CA--C 1.52 0.38 0 CA-C-N 114.99 -1.004 . . . . 0.0 115.463 179.95 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.628 HG12 ' O ' ' B' ' 39' ' ' VAL . 25.5 t -105.82 -0.13 10.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -176.09 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.72 15.21 8.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 119.113 0.87 . . . . 0.0 112.041 -179.767 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.94 166.67 53.11 Favored Glycine 0 CA--C 1.519 0.344 0 C-N-CA 120.559 -0.829 . . . . 0.0 113.298 -179.462 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.459 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 45.2 mp0 -94.68 100.97 12.81 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.231 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.537 ' HH2' HG12 ' A' ' 30' ' ' VAL . 7.9 m0 -100.22 121.49 41.53 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 -178.249 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 65.0 p -101.31 134.42 44.4 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 178.11 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.535 ' CD1' ' CE1' ' B' ' 52' ' ' PHE . 3.8 t80 -107.79 137.78 45.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.719 0.295 . . . . 0.0 111.511 -178.834 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -123.37 81.64 1.91 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.668 179.525 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.424 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 7.5 m-20 -46.74 -36.32 7.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.428 -179.507 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -51.4 -31.98 24.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.169 -179.298 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 80.7 p -123.1 11.55 9.51 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -179.245 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.425 ' CE ' ' HA ' ' B' ' 50' ' ' LYS . 0.0 OUTLIER 50.26 36.88 13.65 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.802 0.334 . . . . 0.0 110.707 179.843 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.823 HG23 ' O ' ' A' ' 4' ' ' LYS . 99.7 m -123.71 143.6 50.18 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.83 -178.732 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.681 ' O ' HG13 ' A' ' 5' ' ' VAL . 89.8 m-85 -111.51 94.96 5.23 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.12 0.486 . . . . 0.0 111.894 179.69 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -72.73 127.77 33.54 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.316 179.426 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 67.3 t -112.16 111.04 34.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.199 179.694 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.687 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 30.4 m -103.49 119.01 38.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.113 -179.432 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.148 -0.929 . . . . 0.0 110.762 -179.64 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.3 mtp . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.993 0.425 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -106.02 142.91 34.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.9 179.13 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -123.7 147.29 47.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.98 0.419 . . . . 0.0 111.204 -179.706 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.746 ' O ' HG23 ' B' ' 51' ' ' THR . 0.1 OUTLIER -96.55 108.62 21.23 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.558 179.977 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.619 ' HB ' HG23 ' A' ' 16' ' ' THR . 75.9 t -97.32 116.89 40.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.135 0.493 . . . . 0.0 110.22 179.491 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' B' ' 53' ' ' THR . 62.1 mt -101.86 126.1 55.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.507 -179.085 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.581 HD21 ' CZ ' ' A' ' 34' ' ' PHE . 47.4 mt -107.35 91.93 3.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.24 179.799 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.736 ' O ' ' HA ' ' B' ' 55' ' ' THR . 81.2 m-20 -100.13 109.25 21.52 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.027 -0.533 . . . . 0.0 112.285 -179.087 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.38 -169.76 15.46 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.714 178.837 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -85.68 -53.37 5.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.239 0.543 . . . . 0.0 110.0 179.204 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.596 ' HB ' HG11 ' B' ' 29' ' ' VAL . 10.0 p -98.89 -5.55 30.61 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.78 179.793 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.955 HD13 ' HB ' ' B' ' 18' ' ' THR . 16.4 tp -135.45 135.76 40.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.194 179.996 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.515 ' H ' HD12 ' A' ' 12' ' ' LEU . 58.4 mttp -145.03 144.39 30.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.171 179.875 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.552 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -179.68 -168.35 38.37 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 119.911 -1.138 . . . . 0.0 113.596 -179.856 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -145.82 142.38 28.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.956 0.407 . . . . 0.0 110.81 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.719 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -141.38 169.09 18.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.815 -179.652 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.455 ' O ' HD12 ' B' ' 12' ' ' LEU . 67.9 p -143.42 121.97 12.48 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 -178.589 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.954 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.6 t -108.97 146.13 34.35 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.588 178.451 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -107.33 116.28 31.66 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 179.666 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.73 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -145.05 149.29 34.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.145 0.498 . . . . 0.0 111.85 -179.556 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.5 t -50.97 -26.68 4.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.802 -179.012 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.479 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -155.89 178.41 10.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.866 0.365 . . . . 0.0 111.467 179.636 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.92 99.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.431 -179.62 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.51 -54.84 37.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.088 179.354 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.851 ' O ' HG23 ' A' ' 29' ' ' VAL . 51.9 p -50.5 -45.34 56.38 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.283 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.779 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -58.44 -51.63 69.05 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.284 177.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.66 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 17.0 tp10 -50.09 -51.19 44.79 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.743 179.127 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -64.39 -49.25 72.33 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 179.475 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 25' ' ' THR . 63.7 t -54.97 -41.78 60.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.02 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 26' ' ' ALA . 66.6 t -66.68 -49.51 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 177.685 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.66 ' HG2' ' O ' ' A' ' 27' ' ' GLU . 4.3 mmmp? -46.77 -49.28 20.02 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.484 178.625 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.473 ' HA ' ' NE2' ' A' ' 32' ' ' GLN . 7.5 tp60 -61.39 -34.44 75.33 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.277 -179.126 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.845 ' CG ' HD23 ' B' ' 12' ' ' LEU . 24.8 t80 -51.61 -72.21 0.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.11 179.206 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.581 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 31.3 m-85 -61.61 -37.47 84.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.914 179.872 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.616 ' ND2' HG22 ' B' ' 39' ' ' VAL . 28.4 t-20 -51.27 -38.67 54.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.434 0.635 . . . . 0.0 109.793 178.655 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.52 -24.12 17.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.525 -179.892 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 38' ' ' GLY . 85.0 m-20 -80.15 -43.18 22.06 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.014 0.435 . . . . 0.0 110.351 179.795 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.88 -114.6 0.0 OUTLIER Glycine 0 CA--C 1.521 0.411 0 CA-C-N 114.676 -1.147 . . . . 0.0 115.785 -179.847 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.611 HG22 ' ND2' ' B' ' 35' ' ' ASN . 96.2 t -82.01 -55.38 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 115.172 1.545 . . . . 0.0 115.172 -176.041 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -89.9 25.48 2.08 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -177.29 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.1 144.5 47.98 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.163 -1.018 . . . . 0.0 112.407 179.537 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -80.85 93.55 6.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.754 0.311 . . . . 0.0 110.328 179.55 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.611 ' CH2' HG12 ' B' ' 30' ' ' VAL . 6.1 m0 -106.52 133.9 50.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.959 -178.873 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 44.0 p -113.13 143.88 43.61 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 177.806 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 9.5 t80 -112.72 142.85 44.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.066 0.46 . . . . 0.0 111.906 -178.599 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -123.32 85.45 2.42 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.488 179.509 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' OD1' ' CD2' ' A' ' 45' ' ' TYR . 13.7 m-20 -46.73 -38.21 9.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.798 -179.374 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.86 -31.99 13.32 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.066 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.9 p -128.39 12.43 6.48 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.843 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 mttt 47.98 35.46 5.08 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-O 120.899 0.381 . . . . 0.0 110.655 -179.557 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.742 HG23 ' O ' ' B' ' 4' ' ' LYS . 87.4 m -116.75 141.7 47.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.454 -179.325 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.494 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.0 m-85 -112.48 144.47 41.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.97 179.377 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 3.1 p -122.35 128.8 51.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.145 0.498 . . . . 0.0 111.579 179.486 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.477 HG22 ' CG ' ' A' ' 43' ' ' TRP . 59.0 t -108.07 112.39 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.164 179.388 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.737 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 45.5 m -103.75 118.35 36.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.67 -179.059 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' OE1' ' C ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.482 -179.87 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 87.4 mtp . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.932 0.396 . . . . 0.0 111.385 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -105.95 142.82 35.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.954 179.168 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -123.6 147.38 47.38 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.006 0.431 . . . . 0.0 111.182 -179.748 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.742 ' O ' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -96.63 108.66 21.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.565 179.927 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.622 ' HB ' HG23 ' B' ' 16' ' ' THR . 73.7 t -97.31 116.91 40.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.089 0.471 . . . . 0.0 110.247 179.467 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 53' ' ' THR . 62.7 mt -101.88 126.12 55.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.506 -179.021 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.582 HD21 ' CZ ' ' B' ' 34' ' ' PHE . 48.1 mt -107.46 92.08 3.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.117 179.904 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.737 ' O ' ' HA ' ' A' ' 55' ' ' THR . 81.2 m-20 -100.22 109.28 21.52 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.222 -179.069 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.46 -169.59 15.37 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.689 178.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' B' ' 10' ' ' LYS . 0.7 OUTLIER -85.77 -53.43 5.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.224 0.535 . . . . 0.0 109.901 179.303 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.587 ' HB ' HG11 ' A' ' 29' ' ' VAL . 10.1 p -98.97 -5.48 30.48 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.744 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.954 HD13 ' HB ' ' A' ' 18' ' ' THR . 16.2 tp -135.51 135.72 40.65 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.017 0.437 . . . . 0.0 111.159 179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.511 ' H ' HD12 ' B' ' 12' ' ' LEU . 58.5 mttp -144.95 144.54 31.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.112 179.793 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.55 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -179.69 -168.34 38.36 Favored Glycine 0 C--N 1.331 0.264 0 C-N-CA 119.889 -1.148 . . . . 0.0 113.632 -179.856 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -145.86 142.29 28.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.936 0.398 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.715 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -141.41 169.02 18.39 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.883 -179.656 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.452 ' O ' HD12 ' A' ' 12' ' ' LEU . 66.6 p -143.39 122.02 12.54 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -178.632 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.955 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.6 t -108.83 146.1 34.2 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.74 178.421 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -107.34 116.31 31.71 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.353 -0.24 . . . . 0.0 110.353 179.745 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.728 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -145.17 149.25 34.64 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.203 0.525 . . . . 0.0 111.789 -179.526 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.8 t -50.98 -26.71 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.753 -178.923 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.479 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -155.75 178.5 10.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.796 0.331 . . . . 0.0 111.533 179.559 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.07 99.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.346 -179.676 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.46 -54.93 36.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.297 -0.411 . . . . 0.0 109.936 179.532 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.847 ' O ' HG23 ' B' ' 29' ' ' VAL . 52.2 p -50.47 -45.39 56.17 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.351 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.785 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -58.55 -51.58 69.27 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.211 178.108 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.663 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 17.0 tp10 -50.12 -51.22 44.85 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.699 179.131 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -64.31 -49.34 72.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.752 179.43 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.847 HG23 ' O ' ' B' ' 25' ' ' THR . 62.9 t -55.07 -41.66 60.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.05 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.785 HG23 ' O ' ' B' ' 26' ' ' ALA . 66.6 t -66.66 -49.49 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 177.665 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.663 ' HG2' ' O ' ' B' ' 27' ' ' GLU . 4.2 mmmp? -46.84 -49.31 20.31 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.463 178.672 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.477 ' HA ' ' NE2' ' B' ' 32' ' ' GLN . 7.7 tp60 -61.27 -34.53 75.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.294 -179.175 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.841 ' CG ' HD23 ' A' ' 12' ' ' LEU . 24.3 t80 -51.57 -72.32 0.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.141 179.202 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.582 ' CZ ' HD21 ' B' ' 7' ' ' LEU . 31.1 m-85 -61.52 -37.38 83.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.986 179.804 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.611 ' ND2' HG22 ' A' ' 39' ' ' VAL . 28.2 t-20 -51.24 -38.86 54.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.506 0.67 . . . . 0.0 109.733 178.642 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.5 -24.07 17.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.749 -1.114 . . . . 0.0 112.496 -179.773 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.452 ' O ' ' C ' ' B' ' 38' ' ' GLY . 84.9 m-20 -80.13 -43.29 21.91 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.089 0.471 . . . . 0.0 110.29 179.757 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.85 -114.58 0.0 OUTLIER Glycine 0 CA--C 1.52 0.405 0 CA-C-N 114.752 -1.113 . . . . 0.0 115.824 -179.837 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.616 HG22 ' ND2' ' A' ' 35' ' ' ASN . 96.2 t -82.06 -55.46 7.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 115.141 1.534 . . . . 0.0 115.141 -175.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -89.78 25.32 2.09 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -177.315 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.99 144.5 48.15 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 120.091 -1.052 . . . . 0.0 112.473 179.531 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -80.78 93.59 6.25 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.742 0.306 . . . . 0.0 110.394 179.475 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.606 ' CH2' HG12 ' A' ' 30' ' ' VAL . 6.0 m0 -106.56 133.95 50.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.009 -178.951 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 44.7 p -113.09 143.82 43.69 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 177.83 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.492 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 9.4 t80 -112.69 142.87 44.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.07 0.462 . . . . 0.0 112.03 -178.673 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -123.22 85.45 2.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.473 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.418 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 13.6 m-20 -46.64 -38.34 9.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.804 -179.417 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.9 -31.98 13.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 112.044 -178.943 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 67.9 p -128.31 12.43 6.52 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.874 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 28.1 mttt 47.99 35.47 5.1 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.903 0.382 . . . . 0.0 110.625 -179.536 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.746 HG23 ' O ' ' A' ' 4' ' ' LYS . 87.3 m -116.74 141.65 47.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.516 -179.347 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.492 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 2.0 m-85 -112.4 144.53 41.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.965 179.373 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.1 p -122.3 128.95 51.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.029 0.442 . . . . 0.0 111.554 179.449 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.481 HG22 ' CG ' ' B' ' 43' ' ' TRP . 60.4 t -108.22 112.37 39.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.074 179.445 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.736 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 46.3 m -103.69 118.48 36.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.695 -179.156 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.415 ' C ' ' OE1' ' B' ' 56' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.523 -179.932 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.47 ' HG2' ' N ' ' A' ' 2' ' ' GLN . 28.0 ttt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.947 0.404 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.47 ' N ' ' HG2' ' A' ' 1' ' ' MET . 5.3 tm0? -95.86 128.94 43.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.99 179.465 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' A' ' 1' ' ' MET . 73.6 m-85 -125.42 142.05 51.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.818 0.342 . . . . 0.0 110.785 -179.736 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.853 ' O ' HG23 ' B' ' 51' ' ' THR . 4.8 ttmp? -105.54 112.73 25.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.956 -179.744 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.697 HG21 HG21 ' A' ' 30' ' ' VAL . 69.7 t -95.28 133.26 36.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.117 0.484 . . . . 0.0 110.473 179.56 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.559 ' HB ' HG22 ' B' ' 53' ' ' THR . 70.0 mt -107.98 124.48 64.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.158 -179.299 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.494 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 15.9 mt -105.67 84.8 2.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.122 0.487 . . . . 0.0 110.218 -179.814 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.769 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.5 m120 -93.81 108.82 20.54 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.669 -0.696 . . . . 0.0 112.359 -179.158 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.55 -167.47 14.7 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.043 178.905 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.63 ' HA ' ' HE2' ' A' ' 10' ' ' LYS . 7.1 mmpt? -82.3 -54.97 4.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.081 0.467 . . . . 0.0 110.127 179.52 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.462 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 14.5 p -102.64 -0.97 31.04 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.304 -179.74 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.931 HD13 ' HB ' ' B' ' 18' ' ' THR . 24.6 tp -137.0 136.61 38.62 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.102 0.477 . . . . 0.0 111.478 -179.499 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.467 ' H ' HD12 ' A' ' 12' ' ' LEU . 96.0 mttt -145.25 145.27 31.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.157 179.496 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.511 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.34 -176.69 43.82 Favored Glycine 0 C--N 1.33 0.222 0 C-N-CA 119.896 -1.145 . . . . 0.0 113.499 -179.695 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -136.56 135.05 38.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.752 0.31 . . . . 0.0 110.283 179.52 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.795 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -135.34 167.0 21.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.053 -179.713 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.495 ' O ' HD12 ' B' ' 12' ' ' LEU . 69.4 p -143.72 122.8 12.87 Favored 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.807 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.949 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.2 t -111.55 145.9 38.28 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.498 178.562 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -107.91 117.11 33.26 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 179.796 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.634 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -146.75 152.39 38.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.199 0.523 . . . . 0.0 111.835 -179.412 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.7 t -50.61 -25.29 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.946 -178.787 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.645 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -157.15 174.91 14.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 111.318 179.307 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.551 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -60.2 -41.87 93.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.521 -179.454 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.6 -54.11 41.08 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.35 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.846 ' O ' HG23 ' A' ' 29' ' ' VAL . 58.6 p -50.13 -45.55 53.07 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.378 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.847 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.44 -49.99 75.38 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.704 178.317 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.485 ' OE2' ' HG3' ' A' ' 31' ' ' LYS . 4.2 tm-20 -55.63 -45.18 77.63 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.627 179.746 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HD2' ' OE1' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -68.07 -47.7 67.59 Favored 'General case' 0 CA--C 1.519 -0.212 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.446 179.129 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 25' ' ' THR . 88.9 t -55.35 -41.79 63.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.565 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 26' ' ' ALA . 99.5 t -63.47 -45.42 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.07 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.485 ' HG3' ' OE2' ' A' ' 27' ' ' GLU . 79.9 mttt -48.64 -47.24 40.51 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-O 121.129 0.49 . . . . 0.0 110.37 178.986 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.3 -36.36 75.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.862 179.28 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.872 ' CG ' HD23 ' B' ' 12' ' ' LEU . 36.2 t80 -51.75 -69.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.999 179.183 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.417 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 32.2 m-85 -64.19 -37.62 88.12 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.957 179.76 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.708 ' ND2' HG22 ' B' ' 39' ' ' VAL . 25.0 t-20 -51.41 -38.88 55.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.497 0.665 . . . . 0.0 110.092 178.828 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -94.64 -23.58 17.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.397 -179.85 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.436 ' O ' ' C ' ' A' ' 38' ' ' GLY . 85.4 m-20 -79.43 -45.29 19.75 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.243 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -4.36 -117.21 0.0 OUTLIER Glycine 0 CA--C 1.519 0.327 0 CA-C-N 114.48 -1.236 . . . . 0.0 116.071 179.645 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.714 HG22 ' ND2' ' B' ' 35' ' ' ASN . 48.2 t -81.88 -55.55 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 115.35 1.611 . . . . 0.0 115.35 -175.88 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -90.98 27.13 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -177.12 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.73 150.84 52.17 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.05 -1.071 . . . . 0.0 112.2 179.331 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 0.4 OUTLIER -81.22 94.49 6.7 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.343 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.549 ' CH2' HG12 ' B' ' 30' ' ' VAL . 8.4 m0 -101.22 122.36 43.5 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -178.367 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -106.9 138.95 42.1 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.641 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.499 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 12.4 t80 -111.73 140.93 45.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.011 0.434 . . . . 0.0 111.927 -178.665 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.7 t0 -123.5 81.93 1.95 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.196 178.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -48.98 -36.15 16.88 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.51 -179.526 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.464 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -51.26 -32.0 22.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.667 -179.632 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.1 p -122.04 11.95 10.32 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.575 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp 48.66 36.43 7.72 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.84 0.352 . . . . 0.0 110.634 179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.86 HG23 ' O ' ' B' ' 4' ' ' LYS . 99.1 m -129.48 140.67 51.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.016 0.436 . . . . 0.0 111.353 -179.017 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.552 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 2.1 m-85 -108.75 146.52 33.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.422 178.937 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.554 HG22 ' HB ' ' B' ' 6' ' ' ILE . 2.9 p -122.71 127.56 49.4 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.34 0.59 . . . . 0.0 112.227 179.781 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.5 t -107.38 115.73 49.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.232 -0.895 . . . . 0.0 108.975 178.356 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.764 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 4.9 m -111.79 123.17 49.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.09 0.471 . . . . 0.0 112.119 -178.457 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.046 179.731 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.468 ' HG2' ' N ' ' B' ' 2' ' ' GLN . 28.0 ttt . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.935 0.398 . . . . 0.0 111.257 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.468 ' N ' ' HG2' ' B' ' 1' ' ' MET . 5.3 tm0? -95.79 128.9 43.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.089 179.342 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' B' ' 1' ' ' MET . 72.9 m-85 -125.39 142.08 51.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.804 0.335 . . . . 0.0 110.735 -179.728 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.86 ' O ' HG23 ' A' ' 51' ' ' THR . 4.8 ttmp? -105.59 112.78 25.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.055 -179.874 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.69 HG21 HG21 ' B' ' 30' ' ' VAL . 69.1 t -95.28 133.22 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.513 179.613 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.554 ' HB ' HG22 ' A' ' 53' ' ' THR . 69.1 mt -107.99 124.53 64.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.146 -179.281 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 15.9 mt -105.61 84.76 2.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.05 0.452 . . . . 0.0 110.3 -179.836 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.764 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.5 m120 -93.85 108.92 20.64 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.319 -179.036 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.56 -167.42 14.68 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.126 178.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.631 ' HE2' ' HA ' ' B' ' 10' ' ' LYS . 7.1 mmpt? -82.43 -55.01 4.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.086 0.469 . . . . 0.0 110.097 179.503 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.464 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 14.6 p -102.58 -1.02 31.14 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.305 -179.81 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.949 HD13 ' HB ' ' A' ' 18' ' ' THR . 24.6 tp -136.98 136.65 38.7 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-O 121.057 0.456 . . . . 0.0 111.531 -179.561 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.472 ' H ' HD12 ' B' ' 12' ' ' LEU . 96.0 mttt -145.27 145.24 31.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.079 179.563 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.31 -176.71 43.81 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 119.979 -1.105 . . . . 0.0 113.558 -179.733 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -136.63 135.09 38.02 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.91 0.386 . . . . 0.0 110.212 179.53 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.79 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -135.39 166.99 21.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.033 -179.727 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.486 ' O ' HD12 ' A' ' 12' ' ' LEU . 70.2 p -143.64 122.76 12.9 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 -178.768 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.931 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.1 t -111.51 145.99 38.07 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.449 178.604 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -107.89 117.0 32.97 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 179.724 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.634 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -146.71 152.52 38.96 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.146 0.498 . . . . 0.0 111.912 -179.495 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 27.1 t -50.56 -25.37 2.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.923 -178.784 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.643 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -157.13 174.87 14.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.891 0.377 . . . . 0.0 111.326 179.388 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.552 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -60.18 -41.82 93.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.487 -179.51 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.74 -54.2 39.15 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.497 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.847 ' O ' HG23 ' B' ' 29' ' ' VAL . 59.3 p -50.09 -45.58 52.71 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 178.413 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.857 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.35 -50.09 75.01 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.754 178.291 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.484 ' OE2' ' HG3' ' B' ' 31' ' ' LYS . 4.2 tm-20 -55.65 -45.09 77.71 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.747 179.704 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.452 ' HD2' ' OE1' ' B' ' 27' ' ' GLU . 0.3 OUTLIER -68.03 -47.82 67.37 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.363 179.044 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.847 HG23 ' O ' ' B' ' 25' ' ' THR . 88.9 t -55.4 -41.82 64.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.676 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.857 HG23 ' O ' ' B' ' 26' ' ' ALA . 100.0 t -63.4 -45.4 98.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.064 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.484 ' HG3' ' OE2' ' B' ' 27' ' ' GLU . 79.9 mttt -48.57 -47.22 39.7 Favored 'General case' 0 N--CA 1.461 0.125 0 CA-C-O 121.106 0.479 . . . . 0.0 110.362 178.955 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -59.31 -36.38 75.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.835 179.328 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.871 ' CG ' HD23 ' A' ' 12' ' ' LEU . 36.3 t80 -51.81 -69.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.972 179.275 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.417 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 32.2 m-85 -64.2 -37.66 88.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.997 179.71 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.714 ' ND2' HG22 ' A' ' 39' ' ' VAL . 25.1 t-20 -51.29 -38.95 55.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.471 0.653 . . . . 0.0 110.124 178.764 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -94.67 -23.5 17.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.944 -1.025 . . . . 0.0 112.352 -179.776 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.441 ' O ' ' C ' ' B' ' 38' ' ' GLY . 85.5 m-20 -79.54 -45.12 19.87 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 179.229 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -4.53 -117.25 0.0 OUTLIER Glycine 0 CA--C 1.52 0.386 0 CA-C-N 114.419 -1.264 . . . . 0.0 116.014 179.719 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.708 HG22 ' ND2' ' A' ' 35' ' ' ASN . 48.4 t -81.86 -55.61 7.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 N-CA-C 115.27 1.581 . . . . 0.0 115.27 -175.736 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -90.91 27.19 1.88 Allowed 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.414 0.894 . . . . 0.0 113.414 -177.208 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.78 150.92 52.23 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.068 -1.063 . . . . 0.0 112.16 179.386 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.492 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 0.4 OUTLIER -81.46 94.53 6.85 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 179.458 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.553 ' CH2' HG12 ' A' ' 30' ' ' VAL . 8.4 m0 -101.16 122.38 43.52 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -178.407 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 67.3 p -106.95 138.98 42.1 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.711 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.495 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 12.2 t80 -111.79 141.08 45.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.994 0.426 . . . . 0.0 111.944 -178.654 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.454 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.8 t0 -123.55 81.86 1.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.187 179.095 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.02 -36.15 17.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.428 -179.486 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.454 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -51.28 -31.96 23.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.655 -179.568 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 81.1 p -122.11 12.04 10.29 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -179.616 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp 48.54 36.39 7.41 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.927 0.394 . . . . 0.0 110.789 -179.945 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.853 HG23 ' O ' ' A' ' 4' ' ' LYS . 99.0 m -129.43 140.67 51.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.45 -179.045 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.551 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 2.2 m-85 -108.76 146.49 33.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.347 179.058 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.559 HG22 ' HB ' ' A' ' 6' ' ' ILE . 2.9 p -122.67 127.56 49.45 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.355 0.598 . . . . 0.0 112.231 179.741 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.5 t -107.31 115.62 49.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.0 178.376 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.769 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 5.0 m -111.76 123.32 49.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.132 0.491 . . . . 0.0 112.088 -178.478 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.173 -0.918 . . . . 0.0 110.946 179.823 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.439 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 11.9 ttm . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.718 0.294 . . . . 0.0 110.61 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -97.11 135.67 38.75 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.409 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.439 ' CE1' ' HB3' ' A' ' 1' ' ' MET . 73.7 m-85 -127.26 145.57 50.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.814 0.34 . . . . 0.0 111.188 -179.426 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.541 ' O ' HG23 ' B' ' 51' ' ' THR . 24.5 ttmm -109.41 107.95 18.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.26 179.639 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.602 ' HB ' HG23 ' A' ' 16' ' ' THR . 62.1 t -94.24 133.87 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.028 0.442 . . . . 0.0 110.897 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.764 HG22 ' OD1' ' A' ' 8' ' ' ASN . 61.3 mt -106.16 129.16 59.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.055 179.743 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.416 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.0 mt -105.9 93.42 4.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.874 -178.632 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.764 ' OD1' HG22 ' A' ' 6' ' ' ILE . 6.4 m120 -98.71 105.54 17.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.49 -179.627 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -110.05 -170.01 19.94 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.405 -0.902 . . . . 0.0 112.464 179.841 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG2' ' CD ' ' B' ' 56' ' ' GLU . 72.7 mmtt -68.89 -53.03 23.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.878 0.37 . . . . 0.0 111.457 -179.735 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.495 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 17.9 p -121.3 17.57 11.47 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.13 -178.933 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.996 HD13 ' HB ' ' B' ' 18' ' ' THR . 27.0 tp -141.04 140.27 34.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.006 0.432 . . . . 0.0 110.879 -179.163 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.509 ' H ' HD12 ' A' ' 12' ' ' LEU . 6.9 mptt -145.11 147.71 32.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.315 179.708 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.33 -174.3 41.82 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 119.928 -1.129 . . . . 0.0 113.366 -179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -141.88 133.68 27.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.023 0.44 . . . . 0.0 110.32 179.636 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.752 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -133.92 168.05 19.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.134 -179.604 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.528 HG22 ' HA ' ' A' ' 4' ' ' LYS . 46.1 p -143.44 119.56 10.75 Favored 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 113.042 0.756 . . . . 0.0 113.042 -178.792 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.995 ' HB ' HD13 ' B' ' 12' ' ' LEU . 15.0 t -109.04 144.47 37.01 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.693 178.754 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -104.95 116.36 31.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.402 -0.222 . . . . 0.0 110.402 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.549 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -148.13 151.67 36.0 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 121.291 0.567 . . . . 0.0 111.979 -179.579 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.5 t -50.84 -26.1 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.991 -178.795 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.585 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -157.42 175.08 14.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.839 0.352 . . . . 0.0 111.347 179.448 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.94 -42.55 94.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.424 -179.589 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.79 -54.47 38.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.006 179.49 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.908 ' O ' HG23 ' A' ' 29' ' ' VAL . 48.9 p -51.42 -45.96 62.77 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 178.411 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.9 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.54 -52.43 65.58 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 177.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.482 ' HG3' ' HE3' ' A' ' 31' ' ' LYS . 37.3 tp10 -51.55 -47.67 63.35 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.503 178.901 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -64.16 -46.1 85.54 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.469 179.46 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 25' ' ' THR . 74.1 t -58.4 -41.13 80.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.21 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 26' ' ' ALA . 21.3 t -61.43 -44.58 98.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.625 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.493 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 22.7 mmtp -46.66 -50.24 18.01 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.247 0.546 . . . . 0.0 109.917 179.212 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.454 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -58.91 -35.72 73.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.683 179.047 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.982 ' CG ' HD23 ' B' ' 12' ' ' LEU . 54.3 t80 -55.07 -62.46 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.376 179.546 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.411 ' HB3' ' HA2' ' B' ' 38' ' ' GLY . 27.5 m-85 -70.04 -39.01 76.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.682 179.31 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.465 ' ND2' HG21 ' B' ' 39' ' ' VAL . 31.0 t-20 -50.43 -38.7 44.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.605 0.717 . . . . 0.0 109.927 178.597 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.39 -22.89 18.02 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.86 -1.064 . . . . 0.0 112.507 -179.744 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.501 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.4 m-20 -81.92 -46.83 13.52 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.145 179.424 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.51 -115.1 0.0 OUTLIER Glycine 0 C--N 1.333 0.395 0 N-CA-C 115.494 0.958 . . . . 0.0 115.494 179.723 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 39' ' ' VAL . 22.0 t -110.37 5.24 8.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -176.361 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -124.99 12.5 8.38 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 121.697 -0.627 . . . . 0.0 112.04 -179.891 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.75 174.86 53.17 Favored Glycine 0 CA--C 1.521 0.432 0 C-N-CA 120.645 -0.788 . . . . 0.0 113.122 -179.593 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 46.6 mp0 -100.0 102.74 14.19 Favored 'General case' 0 C--N 1.333 -0.121 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 179.491 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.536 ' HH2' HG12 ' B' ' 30' ' ' VAL . 7.8 m0 -96.63 118.39 33.01 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.415 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.4 p -102.61 133.38 47.7 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 178.074 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.525 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 9.2 t80 -104.96 139.74 39.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.859 0.361 . . . . 0.0 111.706 -178.552 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -123.22 81.31 1.87 Allowed 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.649 179.525 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.64 -36.79 25.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.465 -179.605 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.13 -31.73 14.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.168 -179.268 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.9 p -128.23 12.7 6.6 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -179.627 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.481 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER 54.38 31.92 15.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.9 0.381 . . . . 0.0 110.335 179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.545 HG23 ' O ' ' B' ' 4' ' ' LYS . 51.7 m -111.45 154.04 25.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.223 -178.758 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.596 ' O ' HG13 ' B' ' 5' ' ' VAL . 3.4 m-85 -129.2 95.03 3.94 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-O 121.225 0.535 . . . . 0.0 112.106 179.636 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.4 p -72.74 127.9 33.95 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.873 178.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.0 t -117.7 119.2 60.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.834 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.639 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 28.6 m -102.67 113.8 27.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.063 179.565 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' CD ' ' HG2' ' B' ' 10' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.307 -0.854 . . . . 0.0 111.221 -178.658 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.439 ' HB3' ' CE1' ' B' ' 3' ' ' TYR . 12.0 ttm . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.777 0.322 . . . . 0.0 110.543 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -97.0 135.64 38.71 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.431 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.439 ' CE1' ' HB3' ' B' ' 1' ' ' MET . 74.1 m-85 -127.25 145.44 50.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.799 0.333 . . . . 0.0 111.214 -179.381 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.545 ' O ' HG23 ' A' ' 51' ' ' THR . 24.5 ttmm -109.39 107.95 18.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.302 179.58 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.598 ' HB ' HG23 ' B' ' 16' ' ' THR . 61.6 t -94.22 133.87 33.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.092 0.472 . . . . 0.0 110.79 -179.64 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.762 HG22 ' OD1' ' B' ' 8' ' ' ASN . 61.3 mt -106.23 129.24 59.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.089 179.628 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.415 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.1 mt -106.0 93.5 4.66 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.884 -178.589 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.762 ' OD1' HG22 ' B' ' 6' ' ' ILE . 6.4 m120 -98.72 105.49 17.64 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.423 -179.53 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.99 -170.0 19.99 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.424 179.786 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.408 ' HG2' ' CD ' ' A' ' 56' ' ' GLU . 72.7 mmtt -68.93 -52.98 23.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.822 0.344 . . . . 0.0 111.415 -179.653 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.493 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 18.0 p -121.34 17.61 11.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.077 -178.9 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.995 HD13 ' HB ' ' A' ' 18' ' ' THR . 27.0 tp -141.13 140.23 34.07 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.953 0.406 . . . . 0.0 110.869 -179.171 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.507 ' H ' HD12 ' B' ' 12' ' ' LEU . 6.9 mptt -145.11 147.57 32.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.283 179.788 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.494 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.24 -174.29 41.73 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.044 -1.074 . . . . 0.0 113.447 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -141.7 133.74 27.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.912 0.387 . . . . 0.0 110.371 179.672 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.738 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -134.05 168.03 19.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.095 -179.564 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.537 HG22 ' HA ' ' B' ' 4' ' ' LYS . 46.2 p -143.53 119.59 10.72 Favored 'General case' 0 CA--C 1.531 0.226 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.849 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.996 ' HB ' HD13 ' A' ' 12' ' ' LEU . 15.0 t -108.84 144.52 36.6 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.761 178.595 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -104.91 116.27 31.69 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 179.829 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.549 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -148.11 151.62 35.92 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.279 0.562 . . . . 0.0 111.976 -179.537 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 26.4 t -50.77 -26.18 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.07 -178.835 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.584 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -157.35 175.05 14.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.835 0.35 . . . . 0.0 111.321 179.485 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.53 94.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.421 -179.587 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.7 -54.64 36.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.981 179.467 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.904 ' O ' HG23 ' B' ' 29' ' ' VAL . 51.5 p -51.25 -46.06 62.23 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.378 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.89 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.49 -52.49 65.37 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.033 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.482 ' HG3' ' HE3' ' B' ' 31' ' ' LYS . 37.1 tp10 -51.49 -47.77 63.12 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.422 178.871 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.4 ' HA ' ' HG2' ' B' ' 31' ' ' LYS . 45.3 mmtm -64.12 -46.12 85.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.522 179.555 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.904 HG23 ' O ' ' B' ' 25' ' ' THR . 72.6 t -58.3 -41.24 80.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.251 179.432 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.89 HG23 ' O ' ' B' ' 26' ' ' ALA . 21.4 t -61.45 -44.47 98.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.657 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.493 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 22.8 mmtp -46.71 -50.19 18.31 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 121.262 0.553 . . . . 0.0 109.945 179.177 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.452 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -58.96 -35.63 73.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.708 178.996 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.984 ' CG ' HD23 ' A' ' 12' ' ' LEU . 54.5 t80 -55.05 -62.53 1.6 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.346 179.488 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.413 ' HB3' ' HA2' ' A' ' 38' ' ' GLY . 27.5 m-85 -70.11 -38.91 75.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.693 179.382 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.471 ' ND2' HG21 ' A' ' 39' ' ' VAL . 31.2 t-20 -50.37 -38.82 44.43 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.481 0.658 . . . . 0.0 109.947 178.509 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.31 -22.74 18.17 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.544 -179.76 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.504 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.5 m-20 -82.04 -46.87 13.33 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 120.469 -0.493 . . . . 0.0 110.045 179.451 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.476 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.5 -115.03 0.0 OUTLIER Glycine 0 C--N 1.334 0.417 0 N-CA-C 115.476 0.95 . . . . 0.0 115.476 179.798 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.645 HG12 ' O ' ' B' ' 39' ' ' VAL . 22.2 t -110.49 5.18 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -176.154 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -125.04 12.51 8.35 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 118.495 0.589 . . . . 0.0 112.032 -179.803 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.82 174.96 53.15 Favored Glycine 0 CA--C 1.521 0.426 0 C-N-CA 120.586 -0.816 . . . . 0.0 113.073 -179.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.453 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 46.2 mp0 -100.17 102.68 14.05 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.484 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.541 ' HH2' HG12 ' A' ' 30' ' ' VAL . 7.7 m0 -96.39 118.34 32.71 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -178.409 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 45.4 p -102.57 133.41 47.6 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.033 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.521 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 9.3 t80 -104.96 139.6 39.42 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -178.628 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -123.14 81.36 1.87 Allowed 'General case' 0 C--O 1.232 0.156 0 CA-C-O 120.935 0.398 . . . . 0.0 110.656 179.543 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.74 -36.6 26.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.544 -179.618 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -50.16 -31.79 14.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 112.131 -179.305 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -128.25 12.67 6.58 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -179.472 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.479 ' HA ' ' HE3' ' B' ' 50' ' ' LYS . 0.0 OUTLIER 54.41 31.79 15.28 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.831 0.348 . . . . 0.0 110.333 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.541 HG23 ' O ' ' A' ' 4' ' ' LYS . 51.5 m -111.39 154.1 25.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.215 -178.696 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.591 ' O ' HG13 ' A' ' 5' ' ' VAL . 3.4 m-85 -129.26 94.98 3.92 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.252 0.548 . . . . 0.0 112.116 179.636 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.4 p -72.77 127.91 33.94 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.802 178.959 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 61.1 t -117.64 119.12 60.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.636 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 28.5 m -102.62 113.8 27.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.161 179.493 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.41 ' CD ' ' HG2' ' A' ' 10' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.208 -178.644 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.744 0.306 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -104.06 129.34 51.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.991 -179.737 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -123.9 148.41 46.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.577 179.584 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.563 ' O ' HG23 ' B' ' 51' ' ' THR . 62.8 tttm -106.28 104.72 14.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.905 -179.832 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.708 HG21 HG21 ' A' ' 30' ' ' VAL . 93.2 t -94.69 129.35 45.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.642 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.764 HG22 ' OD1' ' A' ' 8' ' ' ASN . 67.7 mt -110.33 131.66 60.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.575 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.518 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 17.1 mt -108.03 92.76 4.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.317 -179.49 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.764 ' OD1' HG22 ' A' ' 6' ' ' ILE . 5.9 m120 -96.44 107.12 19.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.055 -178.789 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.47 -175.08 20.03 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.294 179.232 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -78.65 -54.33 6.23 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.263 0.554 . . . . 0.0 109.723 179.204 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.473 ' HB ' HG11 ' B' ' 29' ' ' VAL . 3.0 p -103.01 1.03 32.98 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.438 -0.801 . . . . 0.0 111.223 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.955 HD13 ' HB ' ' B' ' 18' ' ' THR . 28.4 tp -136.74 139.73 42.09 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 121.058 0.456 . . . . 0.0 111.41 -179.54 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.506 ' H ' HD12 ' A' ' 12' ' ' LEU . 49.5 mtmt -145.19 141.9 29.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.411 179.892 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.471 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.54 -173.65 41.45 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.119 -1.039 . . . . 0.0 113.564 179.952 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.439 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 52.0 mp0 -139.69 150.83 45.34 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.527 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.791 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -151.25 166.8 29.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.182 -179.342 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 4' ' ' LYS . 68.0 p -143.51 121.36 11.98 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -179.019 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.971 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.6 t -109.59 145.34 36.56 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.639 -0.709 . . . . 0.0 109.719 178.704 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -106.38 118.15 35.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.73 0.3 . . . . 0.0 110.675 -179.813 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.523 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -149.4 151.8 34.66 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.116 0.484 . . . . 0.0 111.992 -179.633 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.2 t -50.98 -26.4 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.785 -179.074 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.464 ' OD1' HG23 ' A' ' 25' ' ' THR . 5.8 p-10 -155.11 174.02 15.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.864 0.364 . . . . 0.0 111.475 179.468 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.483 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -59.43 -42.63 92.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.05 -179.704 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.29 -55.81 24.63 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.547 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.877 ' O ' HG23 ' A' ' 29' ' ' VAL . 29.6 p -51.23 -44.37 61.66 Favored 'General case' 0 N--CA 1.452 -0.373 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.26 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.751 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.79 -52.7 63.96 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.179 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -52.65 -47.26 67.22 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.58 179.116 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.58 -44.43 96.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.044 179.495 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 25' ' ' THR . 91.5 t -60.48 -39.05 79.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.172 179.194 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 26' ' ' ALA . 47.0 t -67.15 -49.54 71.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.936 -0.765 . . . . 0.0 108.936 178.414 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -47.4 -46.21 25.91 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 121.254 0.549 . . . . 0.0 109.828 178.494 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -61.14 -35.41 77.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.436 179.63 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.861 ' CG ' HD23 ' B' ' 12' ' ' LEU . 46.7 t80 -55.35 -61.73 2.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.197 179.059 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -68.94 -40.89 78.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.659 179.47 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.529 ' ND2' HG22 ' B' ' 39' ' ' VAL . 27.6 t-20 -50.19 -37.29 34.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.623 0.725 . . . . 0.0 109.667 178.467 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -94.5 -23.82 17.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.641 -1.163 . . . . 0.0 112.452 -179.779 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.2 m-20 -81.44 -46.6 14.34 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.043 0.449 . . . . 0.0 110.006 179.379 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -7.2 -114.44 0.0 OUTLIER Glycine 0 CA--C 1.52 0.373 0 N-CA-C 115.962 1.145 . . . . 0.0 115.962 -179.905 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.527 HG22 ' ND2' ' B' ' 35' ' ' ASN . 90.4 t -82.88 -55.27 7.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 115.353 1.612 . . . . 0.0 115.353 -175.891 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -90.7 26.87 1.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.613 0.968 . . . . 0.0 113.613 -176.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.46 162.87 54.28 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 119.916 -1.135 . . . . 0.0 111.879 179.124 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -91.56 96.63 10.58 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 117.012 0.406 . . . . 0.0 110.348 179.791 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.586 ' CH2' HG12 ' B' ' 30' ' ' VAL . 7.6 m95 -97.12 118.12 32.82 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.381 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.3 p -107.18 136.96 46.12 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.025 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.466 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 7.6 t80 -109.28 141.78 41.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 0.0 111.428 -179.217 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.48 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 65.2 t0 -123.23 83.44 2.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 53.7 m-20 -46.78 -37.04 8.0 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.424 -179.96 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.48 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.97 -35.56 24.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.03 -179.262 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.4 p -128.05 12.63 6.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.673 -179.777 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.406 ' NZ ' ' CB ' ' A' ' 50' ' ' LYS . 3.0 mtmp? 47.93 39.18 10.47 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.183 0.516 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.597 HG21 ' CD1' ' B' ' 6' ' ' ILE . 97.7 m -113.35 148.01 36.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.999 -179.254 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.485 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 17.9 m-85 -117.0 96.22 5.35 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 121.51 0.671 . . . . 0.0 111.906 -179.828 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -77.36 121.42 23.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.214 179.27 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.4 t -109.5 109.2 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.374 179.53 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.662 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 34.0 m -101.06 118.69 37.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.597 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.265 -179.068 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.8 tpt . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.866 0.365 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -104.09 129.21 51.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.044 -179.67 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -123.8 148.39 46.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.644 179.637 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.561 ' O ' HG23 ' A' ' 51' ' ' THR . 62.9 tttm -106.28 104.7 14.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.895 -179.77 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.708 HG21 HG21 ' B' ' 30' ' ' VAL . 92.3 t -94.74 129.35 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.986 0.422 . . . . 0.0 110.603 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.761 HG22 ' OD1' ' B' ' 8' ' ' ASN . 67.1 mt -110.28 131.6 60.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.587 179.887 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 17.1 mt -108.0 92.68 4.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.319 -179.516 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.761 ' OD1' HG22 ' B' ' 6' ' ' ILE . 6.0 m120 -96.37 107.14 19.47 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -178.847 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.45 -175.07 20.04 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.174 179.316 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -78.69 -54.32 6.22 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.277 0.561 . . . . 0.0 109.73 179.15 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.475 ' HB ' HG11 ' A' ' 29' ' ' VAL . 2.9 p -103.12 1.06 32.75 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.13 -179.932 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.971 HD13 ' HB ' ' A' ' 18' ' ' THR . 28.3 tp -136.71 139.66 42.09 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.062 0.458 . . . . 0.0 111.424 -179.534 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.501 ' H ' HD12 ' B' ' 12' ' ' LEU . 49.6 mtmt -145.14 142.09 29.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.381 179.837 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.472 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.69 -173.72 41.64 Favored Glycine 0 C--N 1.332 0.311 0 C-N-CA 120.075 -1.059 . . . . 0.0 113.567 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 51.7 mp0 -139.62 150.9 45.53 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.53 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.788 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -151.32 166.74 30.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.168 -179.247 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.524 HG22 ' HA ' ' B' ' 4' ' ' LYS . 68.5 p -143.52 121.39 11.99 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.998 0.74 . . . . 0.0 112.998 -178.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.955 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.7 t -109.62 145.22 36.8 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.68 178.767 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -106.23 118.11 35.78 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.653 0.263 . . . . 0.0 110.766 -179.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.52 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -149.47 151.87 34.68 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-O 121.146 0.498 . . . . 0.0 111.871 -179.642 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.0 t -50.9 -26.49 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.84 -179.109 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.463 ' OD1' HG23 ' B' ' 25' ' ' THR . 5.8 p-10 -155.02 174.1 15.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.88 0.372 . . . . 0.0 111.512 179.455 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.485 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -59.58 -42.43 92.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.148 -179.725 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.3 -55.88 23.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.304 -0.407 . . . . 0.0 109.953 179.412 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.873 ' O ' HG23 ' B' ' 29' ' ' VAL . 29.9 p -51.21 -44.31 61.6 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 178.268 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.752 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.85 -52.47 64.9 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.29 178.111 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -52.91 -47.11 68.21 Favored 'General case' 0 N--CA 1.456 -0.151 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.564 179.049 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -62.64 -44.38 96.43 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.045 179.427 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.873 HG23 ' O ' ' B' ' 25' ' ' THR . 92.7 t -60.62 -38.97 79.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.173 179.255 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.752 HG23 ' O ' ' B' ' 26' ' ' ALA . 47.2 t -67.23 -49.45 72.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 178.389 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -47.4 -46.21 25.96 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 121.362 0.601 . . . . 0.0 109.873 178.496 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' B' ' 32' ' ' GLN . 3.1 tp-100 -61.11 -35.35 76.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.456 179.625 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.862 ' CG ' HD23 ' A' ' 12' ' ' LEU . 47.2 t80 -55.52 -61.72 2.16 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.134 179.124 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -69.02 -40.77 78.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.604 179.492 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.527 ' ND2' HG22 ' A' ' 39' ' ' VAL . 27.7 t-20 -50.24 -37.27 34.78 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.682 0.753 . . . . 0.0 109.659 178.459 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -94.5 -23.85 17.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.7 -1.136 . . . . 0.0 112.498 -179.793 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.449 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.1 m-20 -81.43 -46.4 14.64 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.034 0.445 . . . . 0.0 110.101 179.32 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -7.45 -114.43 0.0 OUTLIER Glycine 0 CA--C 1.52 0.362 0 N-CA-C 115.978 1.151 . . . . 0.0 115.978 -179.899 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.529 HG22 ' ND2' ' A' ' 35' ' ' ASN . 91.1 t -82.86 -55.19 7.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -175.938 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -90.58 26.85 1.88 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.669 0.989 . . . . 0.0 113.669 -177.14 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.45 162.75 54.27 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 119.953 -1.118 . . . . 0.0 111.902 179.135 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -91.42 96.58 10.59 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 117.028 0.414 . . . . 0.0 110.378 179.756 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.58 ' CH2' HG12 ' A' ' 30' ' ' VAL . 7.5 m95 -96.97 117.99 32.37 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -178.47 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.2 p -107.18 137.06 45.95 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 178.091 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.465 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 7.7 t80 -109.4 141.67 41.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.846 0.355 . . . . 0.0 111.37 -179.143 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.483 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 65.4 t0 -123.16 83.5 2.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.004 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 53.9 m-20 -46.82 -36.96 7.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.373 -179.901 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.483 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.13 -35.5 26.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.301 -0.409 . . . . 0.0 112.005 -179.264 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 74.2 p -127.96 12.56 6.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.638 -0.255 . . . . 0.0 111.668 -179.793 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.403 ' CB ' ' NZ ' ' B' ' 50' ' ' LYS . 2.9 mtmp? 47.91 39.15 10.36 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.192 0.52 . . . . 0.0 110.903 -179.894 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.587 HG21 ' CD1' ' A' ' 6' ' ' ILE . 97.6 m -113.25 147.95 36.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.08 -179.245 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.483 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 18.1 m-85 -116.9 96.22 5.37 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.369 0.604 . . . . 0.0 111.911 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -77.35 121.47 23.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 114.955 -1.021 . . . . 0.0 111.203 179.27 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 64.6 t -109.56 109.23 27.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.32 179.539 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.667 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 34.2 m -100.98 118.62 37.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.934 -179.644 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.247 -0.882 . . . . 0.0 111.358 -179.14 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.424 ' HG3' ' CE1' ' A' ' 3' ' ' TYR . 11.2 tpt . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.668 0.27 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -111.41 146.84 36.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.005 0.431 . . . . 0.0 111.171 -179.595 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.466 ' CD2' ' HE2' ' B' ' 50' ' ' LYS . 10.1 m-85 -132.5 151.64 51.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.289 179.542 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.783 ' O ' HG23 ' B' ' 51' ' ' THR . 87.8 tttt -109.59 109.84 20.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.923 0.392 . . . . 0.0 111.411 -179.559 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.766 HG21 HG21 ' A' ' 30' ' ' VAL . 72.6 t -94.86 136.0 27.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.103 179.399 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.781 HG22 ' OD1' ' A' ' 8' ' ' ASN . 78.1 mt -114.84 135.35 54.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.049 -179.197 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.496 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 13.9 mt -113.2 104.99 12.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.698 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.781 ' OD1' HG22 ' A' ' 6' ' ' ILE . 6.2 m120 -109.11 107.83 18.28 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.496 -179.574 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.52 -166.19 15.42 Favored Glycine 0 CA--C 1.51 -0.237 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.279 179.343 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -75.71 -55.37 5.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.915 0.388 . . . . 0.0 110.802 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.463 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 15.3 p -110.17 8.8 23.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.648 -179.083 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.968 HD13 ' HB ' ' B' ' 18' ' ' THR . 26.7 tp -140.12 138.32 35.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.029 0.442 . . . . 0.0 111.654 -179.402 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.478 ' H ' HD12 ' A' ' 12' ' ' LEU . 52.0 mtmt -145.77 148.1 32.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.562 -0.745 . . . . 0.0 110.105 179.051 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -176.2 -173.29 41.72 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 119.84 -1.172 . . . . 0.0 113.835 -179.938 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.438 ' N ' ' OE1' ' A' ' 15' ' ' GLU . 51.3 mp0 -140.09 137.62 34.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.824 0.345 . . . . 0.0 110.293 179.827 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.745 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -138.88 168.88 18.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.429 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.531 HG22 ' HA ' ' A' ' 4' ' ' LYS . 48.8 p -143.4 120.11 11.16 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -178.76 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.982 ' HB ' HD13 ' B' ' 12' ' ' LEU . 15.1 t -108.14 142.72 37.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.591 178.549 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -104.87 115.85 31.0 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.534 0.207 . . . . 0.0 110.64 179.803 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.53 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.04 154.91 39.98 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 121.255 0.55 . . . . 0.0 112.057 -179.632 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.0 t -50.53 -24.33 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.176 -0.92 . . . . 0.0 112.166 -178.581 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.45 ' OD2' ' HB3' ' A' ' 24' ' ' ALA . 6.0 p-10 -158.16 170.62 21.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.83 0.347 . . . . 0.0 111.506 179.563 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -59.27 -40.95 87.69 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.517 179.844 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.45 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -64.69 -55.54 19.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.863 179.26 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.868 ' O ' HG23 ' A' ' 29' ' ' VAL . 10.9 p -53.57 -42.1 67.2 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.294 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.921 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -62.13 -49.15 77.04 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.488 178.097 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.473 ' HG2' ' HE3' ' A' ' 31' ' ' LYS . 39.1 tt0 -57.57 -44.86 85.64 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 179.342 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -64.45 -43.57 93.84 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.344 179.493 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 25' ' ' THR . 96.5 t -60.35 -40.53 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.041 179.167 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.921 HG23 ' O ' ' A' ' 26' ' ' ALA . 43.7 t -60.62 -43.35 94.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 178.514 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.568 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 28.2 mmtp -47.25 -51.63 18.31 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.271 0.558 . . . . 0.0 109.801 179.059 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.423 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 3.6 tp-100 -56.58 -36.8 69.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.033 179.629 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.914 ' CG ' HD23 ' B' ' 12' ' ' LEU . 43.8 t80 -52.68 -66.75 0.33 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.952 179.301 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.45 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 31.2 m-85 -66.87 -38.66 86.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.896 179.412 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.521 ' ND2' HG22 ' B' ' 39' ' ' VAL . 28.1 t-20 -52.78 -37.83 60.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.542 0.687 . . . . 0.0 109.654 178.297 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.443 ' HB2' ' HG2' ' A' ' 56' ' ' GLU . 42.3 m-20 -94.21 -26.43 16.66 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 114.757 -1.111 . . . . 0.0 112.718 -179.552 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.471 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.0 m-20 -78.64 -41.8 30.46 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.149 0.499 . . . . 0.0 110.144 179.477 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.81 -115.46 0.0 OUTLIER Glycine 0 CA--C 1.521 0.418 0 CA-C-N 114.556 -1.202 . . . . 0.0 115.758 179.712 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.523 HG22 ' ND2' ' B' ' 35' ' ' ASN . 86.3 t -84.71 -55.42 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -175.855 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -89.66 26.24 1.8 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 -176.515 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.51 161.75 52.4 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 119.658 -1.258 . . . . 0.0 111.705 178.886 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -88.06 95.92 10.32 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 117.186 0.493 . . . . 0.0 110.38 179.717 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.639 ' HH2' HG12 ' B' ' 30' ' ' VAL . 6.9 m0 -99.04 118.85 36.74 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.368 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.5 p -110.94 138.57 47.18 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 177.627 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 8.4 t80 -110.23 144.33 39.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.013 0.435 . . . . 0.0 111.61 -178.672 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.645 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.3 t70 -123.31 81.9 1.94 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.533 179.504 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.431 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 52.1 m-20 -45.3 -35.02 3.21 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.53 -179.774 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.645 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.01 -33.15 17.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.236 -179.14 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.5 p -126.92 14.51 7.4 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.414 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HE2' ' CD2' ' B' ' 3' ' ' TYR . 4.3 mmmm 50.93 36.42 14.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.542 179.748 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.779 HG23 ' O ' ' B' ' 4' ' ' LYS . 95.6 m -129.37 143.18 50.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.207 0.527 . . . . 0.0 111.997 -178.81 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.524 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 2.5 m-85 -109.81 149.62 29.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.202 179.453 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 4.3 p -121.93 127.57 50.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.987 0.422 . . . . 0.0 111.145 179.251 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.6 t -105.69 106.57 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.314 179.342 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.699 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 32.7 m -99.69 115.47 29.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.469 -179.307 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.443 ' HG2' ' HB2' ' A' ' 36' ' ' ASP . 3.9 tm-20 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.601 -179.867 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.428 ' HG3' ' CE1' ' B' ' 3' ' ' TYR . 11.2 tpt . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.677 0.275 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -111.48 146.78 36.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.975 0.417 . . . . 0.0 111.255 -179.633 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.464 ' CD2' ' HE2' ' A' ' 50' ' ' LYS . 10.1 m-85 -132.3 151.67 51.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.29 179.629 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.779 ' O ' HG23 ' A' ' 51' ' ' THR . 87.8 tttt -109.7 109.96 20.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 111.366 -179.701 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.763 HG21 HG21 ' B' ' 30' ' ' VAL . 69.9 t -94.89 136.0 27.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.172 179.292 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.782 HG22 ' OD1' ' B' ' 8' ' ' ASN . 78.2 mt -114.87 135.34 55.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.034 -179.167 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 13.9 mt -113.18 104.96 12.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.627 -179.379 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.782 ' OD1' HG22 ' B' ' 6' ' ' ILE . 6.1 m120 -109.03 107.82 18.3 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.555 -179.67 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.51 -166.14 15.41 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.443 -0.884 . . . . 0.0 112.296 179.389 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.0 mtmt -75.6 -55.58 5.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.939 0.4 . . . . 0.0 110.749 179.928 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.465 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 15.6 p -110.07 8.88 24.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.711 -179.035 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.982 HD13 ' HB ' ' A' ' 18' ' ' THR . 26.9 tp -140.2 138.34 35.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.115 0.483 . . . . 0.0 111.639 -179.404 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.477 ' H ' HD12 ' B' ' 12' ' ' LEU . 51.9 mtmt -145.73 148.14 32.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.068 179.077 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -176.22 -173.31 41.77 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 119.81 -1.186 . . . . 0.0 113.775 -179.962 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' B' ' 15' ' ' GLU . 51.4 mp0 -140.12 137.66 34.66 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.842 0.353 . . . . 0.0 110.317 179.755 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.74 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -138.8 169.03 18.53 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 -179.45 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.535 HG22 ' HA ' ' B' ' 4' ' ' LYS . 49.5 p -143.45 120.12 11.14 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.705 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.968 ' HB ' HD13 ' A' ' 12' ' ' LEU . 15.1 t -108.28 142.82 38.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.477 178.528 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -104.94 115.96 31.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.485 0.183 . . . . 0.0 110.566 179.853 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -149.14 154.9 39.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.245 0.545 . . . . 0.0 112.041 -179.563 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 24.0 t -50.61 -24.37 2.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.162 -0.926 . . . . 0.0 112.153 -178.605 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.455 ' OD2' ' HB3' ' B' ' 24' ' ' ALA . 6.0 p-10 -158.08 170.74 21.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.912 0.387 . . . . 0.0 111.437 179.609 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.524 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -59.34 -41.04 88.24 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.472 179.81 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.455 ' HB3' ' OD2' ' B' ' 22' ' ' ASP . . . -64.71 -55.5 19.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.907 179.277 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.871 ' O ' HG23 ' B' ' 29' ' ' VAL . 10.9 p -53.55 -42.17 67.22 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 178.216 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.929 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -61.92 -49.3 76.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.503 178.065 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.475 ' HG2' ' HE3' ' B' ' 31' ' ' LYS . 39.1 tt0 -57.47 -44.99 85.3 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.61 179.43 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.4 ' HA ' ' HG2' ' B' ' 31' ' ' LYS . 33.6 mmtp -64.39 -43.57 94.01 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.36 179.492 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.871 HG23 ' O ' ' B' ' 25' ' ' THR . 96.1 t -60.41 -40.48 84.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.944 179.144 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.929 HG23 ' O ' ' B' ' 26' ' ' ALA . 43.9 t -60.69 -43.34 94.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 178.57 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.566 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 28.2 mmtp -47.25 -51.6 18.4 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.287 0.565 . . . . 0.0 109.849 179.008 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.424 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 3.6 tp-100 -56.59 -36.81 69.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.01 179.652 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.902 ' CG ' HD23 ' A' ' 12' ' ' LEU . 43.7 t80 -52.68 -66.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.004 179.287 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.452 ' HZ ' HD11 ' B' ' 7' ' ' LEU . 31.2 m-85 -66.82 -38.88 87.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.845 179.436 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.523 ' ND2' HG22 ' A' ' 39' ' ' VAL . 28.2 t-20 -52.7 -37.78 59.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.423 0.63 . . . . 0.0 109.649 178.306 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.444 ' HB2' ' HG2' ' B' ' 56' ' ' GLU . 42.6 m-20 -94.25 -26.42 16.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.868 -1.06 . . . . 0.0 112.627 -179.511 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.468 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 85.9 m-20 -78.68 -41.9 29.95 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.049 0.452 . . . . 0.0 110.048 179.532 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.85 -115.52 0.0 OUTLIER Glycine 0 CA--C 1.521 0.452 0 CA-C-N 114.605 -1.18 . . . . 0.0 115.688 179.78 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.521 HG22 ' ND2' ' A' ' 35' ' ' ASN . 86.0 t -84.63 -55.4 6.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 115.78 1.77 . . . . 0.0 115.78 -175.832 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -89.56 26.21 1.78 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 -176.605 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.65 161.68 52.59 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 119.715 -1.231 . . . . 0.0 111.582 179.049 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -88.05 96.03 10.36 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 117.063 0.431 . . . . 0.0 110.384 179.75 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.638 ' HH2' HG12 ' A' ' 30' ' ' VAL . 6.9 m0 -99.04 118.95 36.97 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.872 0.693 . . . . 0.0 112.872 -178.398 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 71.5 p -110.93 138.49 47.27 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 177.654 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.503 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 8.4 t80 -110.15 144.33 38.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.873 0.368 . . . . 0.0 111.694 -178.704 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.643 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.3 t0 -123.29 81.81 1.93 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.584 179.502 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.43 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 52.7 m-20 -45.41 -34.95 3.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.461 -179.641 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.643 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.0 -33.18 17.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.263 -179.182 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.0 p -126.85 14.43 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.384 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.466 ' HE2' ' CD2' ' A' ' 3' ' ' TYR . 4.3 mmmm 51.03 36.3 14.94 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.852 0.358 . . . . 0.0 110.597 179.754 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.783 HG23 ' O ' ' A' ' 4' ' ' LYS . 95.5 m -129.29 143.11 50.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.103 0.478 . . . . 0.0 112.107 -178.77 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.524 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 2.4 m-85 -109.81 149.79 29.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.159 179.449 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 4.3 p -121.95 127.62 50.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.918 0.39 . . . . 0.0 111.158 179.272 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 81.7 t -105.71 106.44 20.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.262 179.442 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.69 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 32.5 m -99.63 115.46 29.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.46 -179.317 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.444 ' HG2' ' HB2' ' B' ' 36' ' ' ASP . 3.9 tm-20 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.668 -179.925 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.3 mmm . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.905 0.383 . . . . 0.0 111.499 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -106.44 143.1 35.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.025 179.175 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -121.78 146.13 47.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.973 0.416 . . . . 0.0 111.409 -179.648 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.762 ' O ' HG23 ' B' ' 51' ' ' THR . 2.6 tpmt? -96.43 103.8 15.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.129 179.566 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.671 ' HB ' HG23 ' A' ' 16' ' ' THR . 60.1 t -95.15 113.84 30.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.155 0.503 . . . . 0.0 111.08 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.413 HG13 ' CG2' ' B' ' 51' ' ' THR . 74.7 mt -95.1 119.22 42.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.001 179.82 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.481 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.9 mt -99.24 84.96 3.11 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.778 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.657 ' O ' ' HA ' ' B' ' 55' ' ' THR . 32.6 t-20 -93.95 108.97 20.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.424 -178.001 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.512 ' HA2' ' HG2' ' B' ' 56' ' ' GLU . . . -117.52 -169.39 14.87 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.303 -0.951 . . . . 0.0 112.605 179.606 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -82.69 -58.05 3.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.156 0.503 . . . . 0.0 110.328 179.779 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.419 ' HB ' HG11 ' B' ' 29' ' ' VAL . 3.2 p -100.46 -0.49 37.9 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.662 179.653 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.962 HD13 ' HB ' ' B' ' 18' ' ' THR . 21.1 tp -136.39 136.26 39.45 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.032 -179.545 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.484 ' H ' HD12 ' A' ' 12' ' ' LEU . 59.2 mttp -145.1 145.23 31.33 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.27 179.792 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.57 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 177.78 -165.26 34.77 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 119.962 -1.113 . . . . 0.0 113.552 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -149.59 142.17 24.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.986 0.422 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.73 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -139.14 168.86 18.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.726 179.827 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.701 HG22 ' HE3' ' A' ' 4' ' ' LYS . 69.6 p -141.36 123.86 15.86 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -178.763 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.972 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.3 t -111.46 144.61 40.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.667 178.753 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -106.21 118.26 36.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.581 0.229 . . . . 0.0 110.385 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.1 151.9 35.23 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.303 0.573 . . . . 0.0 112.182 -179.379 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.7 t -50.78 -28.24 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.779 -179.075 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.451 ' OD1' ' CG2' ' A' ' 25' ' ' THR . 5.1 p-10 -153.79 171.65 18.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.804 0.335 . . . . 0.0 111.503 179.55 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.567 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -58.77 -41.83 87.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 -179.663 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.47 -55.69 22.09 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.354 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.898 ' O ' HG23 ' A' ' 29' ' ' VAL . 25.2 p -51.73 -44.54 63.3 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.185 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.884 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.61 -51.41 69.52 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 178.127 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -54.26 -45.43 72.4 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.152 178.933 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . 46.5 mmtm -64.88 -46.24 82.62 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.716 179.672 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.898 HG23 ' O ' ' A' ' 25' ' ' THR . 87.4 t -57.13 -39.86 69.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 109.998 179.298 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 26' ' ' ALA . 27.1 t -61.61 -43.82 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.638 178.848 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.543 ' HD2' ' CH2' ' B' ' 43' ' ' TRP . 1.0 OUTLIER -49.19 -49.03 44.59 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.153 0.501 . . . . 0.0 110.012 179.497 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.51 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -57.22 -36.43 70.88 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.721 179.005 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.873 ' CG ' HD23 ' B' ' 12' ' ' LEU . 41.7 t80 -55.0 -64.99 0.66 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.06 179.428 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.475 ' CE1' ' CE1' ' B' ' 34' ' ' PHE . 24.8 m-85 -66.65 -38.88 87.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.578 179.416 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.406 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 31.6 t-20 -51.25 -38.17 51.15 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.508 0.67 . . . . 0.0 109.838 178.529 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.24 -22.39 18.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.764 -1.107 . . . . 0.0 112.122 -179.879 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.459 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.8 m-20 -83.65 -46.82 11.91 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.568 179.667 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -11.41 -112.04 0.0 OUTLIER Glycine 0 CA--C 1.521 0.429 0 N-CA-C 115.605 1.002 . . . . 0.0 115.605 -179.697 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 39' ' ' VAL . 25.0 t -108.44 3.86 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 -176.566 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.66 10.88 7.84 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 118.536 0.607 . . . . 0.0 111.931 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.48 172.32 53.53 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 120.568 -0.825 . . . . 0.0 113.345 -179.349 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -103.63 110.0 21.9 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 120.847 0.356 . . . . 0.0 110.374 179.71 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.545 ' HH2' HG12 ' B' ' 30' ' ' VAL . 5.9 m0 -105.53 123.75 48.42 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.425 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.447 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 56.8 p -108.73 138.75 44.54 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 177.97 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.437 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 21.2 t80 -110.48 144.32 39.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.071 0.462 . . . . 0.0 112.216 -178.561 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -123.27 81.82 1.93 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.364 179.39 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.95 -36.56 12.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.837 -179.301 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.53 -31.97 11.38 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -178.962 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 66.5 p -128.2 14.87 6.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.587 179.889 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.8 mtmm 48.16 34.85 4.69 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.958 0.408 . . . . 0.0 110.457 -179.469 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.766 HG23 ' O ' ' B' ' 4' ' ' LYS . 92.7 m -117.78 140.25 49.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.579 -179.095 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' HZ ' ' HB1' ' B' ' 23' ' ' ALA . 2.5 m-85 -108.42 140.97 40.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.173 179.412 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.447 ' HG1' ' HG1' ' A' ' 44' ' ' THR . 3.0 p -117.83 122.84 44.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.103 0.478 . . . . 0.0 111.325 179.324 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 62.0 t -102.95 107.16 21.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.879 179.308 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.657 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 25.2 m -102.72 117.66 35.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.422 -179.15 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.513 ' HG2' ' HA2' ' B' ' 9' ' ' GLY . 21.9 pt-20 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 91.1 mmm . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.949 0.404 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -106.5 143.04 35.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.018 179.145 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -121.78 146.25 47.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.924 0.392 . . . . 0.0 111.455 -179.712 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.766 ' O ' HG23 ' A' ' 51' ' ' THR . 2.6 tpmt? -96.36 103.72 15.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.196 179.619 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.675 ' HB ' HG23 ' B' ' 16' ' ' THR . 59.9 t -95.22 113.94 30.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.154 0.502 . . . . 0.0 111.062 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.412 HG13 ' CG2' ' A' ' 51' ' ' THR . 74.4 mt -95.19 119.15 42.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.944 179.92 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.487 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.0 mt -99.28 84.88 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.564 179.79 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.657 ' O ' ' HA ' ' A' ' 55' ' ' THR . 32.7 t-20 -94.0 109.03 20.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.369 -177.92 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.513 ' HA2' ' HG2' ' A' ' 56' ' ' GLU . . . -117.57 -169.32 14.83 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.266 -0.969 . . . . 0.0 112.569 179.623 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 50.5 mtpt -82.85 -58.0 3.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.022 0.439 . . . . 0.0 110.256 179.921 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.417 ' HB ' HG11 ' A' ' 29' ' ' VAL . 3.2 p -100.42 -0.57 37.85 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.631 179.583 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.972 HD13 ' HB ' ' A' ' 18' ' ' THR . 21.0 tp -136.33 136.28 39.59 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.134 -179.657 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.483 ' H ' HD12 ' B' ' 12' ' ' LEU . 59.3 mttp -145.1 145.31 31.36 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.279 179.81 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.569 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 177.72 -165.25 34.78 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 119.841 -1.171 . . . . 0.0 113.477 -179.943 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -149.65 142.2 24.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.995 0.426 . . . . 0.0 110.941 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.727 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -139.05 168.89 18.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.756 179.83 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.694 HG22 ' HE3' ' B' ' 4' ' ' LYS . 69.4 p -141.41 123.95 15.89 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 113.021 0.748 . . . . 0.0 113.021 -178.845 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.962 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.3 t -111.58 144.63 40.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.641 178.83 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -106.11 118.25 36.14 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 179.937 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.628 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -149.21 151.9 35.08 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.383 0.611 . . . . 0.0 112.141 -179.37 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -50.78 -28.33 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.746 -178.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.449 ' OD1' ' CG2' ' B' ' 25' ' ' THR . 5.2 p-10 -153.71 171.6 18.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.881 0.372 . . . . 0.0 111.496 179.582 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.569 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -58.74 -41.89 87.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.157 -179.727 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.44 -55.61 22.86 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 179.296 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.896 ' O ' HG23 ' B' ' 29' ' ' VAL . 25.5 p -51.75 -44.56 63.36 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.156 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.888 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.61 -51.37 69.71 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 178.096 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -54.33 -45.35 72.63 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.119 179.018 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' HG2' ' B' ' 31' ' ' LYS . 46.5 mmtm -64.86 -46.28 82.51 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.728 179.69 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.896 HG23 ' O ' ' B' ' 25' ' ' THR . 86.0 t -57.16 -39.8 69.3 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.044 179.286 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.888 HG23 ' O ' ' B' ' 26' ' ' ALA . 27.5 t -61.6 -43.93 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.932 -0.577 . . . . 0.0 109.551 178.83 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.543 ' HD2' ' CH2' ' A' ' 43' ' ' TRP . 1.0 OUTLIER -49.17 -48.93 44.62 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-O 121.096 0.474 . . . . 0.0 110.011 179.544 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.512 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -57.31 -36.46 71.12 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.709 178.993 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.874 ' CG ' HD23 ' A' ' 12' ' ' LEU . 41.3 t80 -54.97 -64.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.094 179.459 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.475 ' CE1' ' CE1' ' A' ' 34' ' ' PHE . 24.8 m-85 -66.77 -38.8 87.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.521 179.398 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.404 ' HB3' ' HA ' ' B' ' 32' ' ' GLN . 31.5 t-20 -51.42 -38.13 52.0 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.452 0.644 . . . . 0.0 109.796 178.608 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.06 -22.56 18.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.901 -1.045 . . . . 0.0 112.243 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.459 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.8 m-20 -83.65 -46.72 12.01 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.475 179.777 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.454 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -11.41 -112.08 0.0 OUTLIER Glycine 0 CA--C 1.522 0.472 0 N-CA-C 115.526 0.97 . . . . 0.0 115.526 -179.733 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.654 HG12 ' O ' ' B' ' 39' ' ' VAL . 25.3 t -108.55 3.96 9.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 -176.531 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.68 10.95 7.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.763 -0.586 . . . . 0.0 111.889 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -81.5 172.38 53.55 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.621 -0.799 . . . . 0.0 113.281 -179.354 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -103.71 109.86 21.73 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.796 0.331 . . . . 0.0 110.384 179.7 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.549 ' HH2' HG12 ' A' ' 30' ' ' VAL . 5.9 m0 -105.5 123.82 48.53 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.373 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.467 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 56.5 p -108.79 138.8 44.55 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 177.999 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.435 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 21.3 t80 -110.5 144.28 39.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.161 0.505 . . . . 0.0 112.146 -178.536 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -123.29 81.85 1.93 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.331 179.324 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.87 -36.69 12.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.818 -179.36 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -49.44 -31.92 10.8 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 111.959 0.355 . . . . 0.0 111.959 -178.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 67.4 p -128.32 14.87 6.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.523 179.915 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 15.9 mtmm 48.21 34.8 4.72 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.008 0.433 . . . . 0.0 110.451 -179.501 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.762 HG23 ' O ' ' A' ' 4' ' ' LYS . 92.5 m -117.69 140.28 49.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.626 -179.073 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.567 ' HZ ' ' HB1' ' A' ' 23' ' ' ALA . 2.5 m-85 -108.5 140.94 41.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.14 179.434 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.467 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 3.0 p -117.83 122.89 44.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.172 0.51 . . . . 0.0 111.209 179.373 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 62.0 t -102.92 107.15 21.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.903 179.224 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.657 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 25.6 m -102.84 117.8 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.267 -179.081 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.512 ' HG2' ' HA2' ' A' ' 9' ' ' GLY . 21.9 pt-20 . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.793 -179.879 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.501 ' HE3' ' CZ ' ' A' ' 3' ' ' TYR . 36.3 ttp . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.811 0.339 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.424 ' NE2' ' C ' ' A' ' 2' ' ' GLN . 0.0 OUTLIER -108.0 144.53 35.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.671 -179.921 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.501 ' CZ ' ' HE3' ' A' ' 1' ' ' MET . 2.2 m-85 -129.58 148.03 51.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.804 -179.824 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.779 ' O ' HG23 ' B' ' 51' ' ' THR . 7.2 ttpm? -103.77 108.89 20.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.602 179.795 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.734 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.5 t -94.77 130.59 43.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.094 0.474 . . . . 0.0 111.2 -179.711 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.443 ' CD1' HG21 ' B' ' 51' ' ' THR . 74.4 mt -105.53 121.53 57.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.643 179.714 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.436 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.3 mt -99.85 91.9 5.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.874 -179.906 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.643 ' O ' ' HA ' ' B' ' 55' ' ' THR . 32.5 t-20 -100.08 108.31 20.43 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.152 -0.477 . . . . 0.0 112.263 -178.086 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.482 ' HA2' ' HG3' ' B' ' 56' ' ' GLU . . . -115.72 -169.56 15.71 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.514 179.63 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.462 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.4 mtmp? -75.05 -54.87 6.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.659 0.266 . . . . 0.0 111.179 -179.82 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.576 ' OG1' HG13 ' B' ' 29' ' ' VAL . 7.0 p -111.31 10.57 21.64 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.246 -179.235 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.989 HD13 ' HB ' ' B' ' 18' ' ' THR . 28.9 tp -138.97 138.93 37.73 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.122 0.487 . . . . 0.0 111.419 -179.39 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.473 ' H ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -144.61 144.6 31.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.2 179.705 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -176.55 -172.83 41.61 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.14 -1.028 . . . . 0.0 113.176 -179.98 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -143.21 137.14 28.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.908 0.385 . . . . 0.0 110.462 179.854 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.778 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.1 OUTLIER -134.84 167.34 21.07 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.101 -179.663 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.484 ' O ' HD12 ' B' ' 12' ' ' LEU . 51.6 p -143.28 119.42 10.76 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 -178.861 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.002 ' HB ' HD13 ' B' ' 12' ' ' LEU . 13.2 t -108.03 145.02 34.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.368 178.619 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -107.33 114.14 27.98 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 121.162 -0.215 . . . . 0.0 110.466 179.594 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.563 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -144.95 152.54 40.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.267 0.556 . . . . 0.0 112.02 -179.332 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.5 t -50.98 -25.79 3.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.971 -178.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.47 ' OD2' ' HB3' ' A' ' 24' ' ' ALA . 9.9 p-10 -158.31 172.96 17.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.973 0.416 . . . . 0.0 111.487 179.719 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.5 -41.86 86.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.115 -179.777 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.47 ' HB3' ' OD2' ' A' ' 22' ' ' ASP . . . -63.64 -53.86 44.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.216 179.517 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.869 ' O ' HG23 ' A' ' 29' ' ' VAL . 10.8 p -55.35 -43.22 74.81 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.383 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -60.93 -51.98 66.98 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.033 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.63 -47.5 58.36 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.454 179.103 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -62.8 -45.84 90.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.953 179.237 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 25' ' ' THR . 94.4 t -53.22 -43.37 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.076 179.089 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.608 HG12 ' HH2' ' B' ' 43' ' ' TRP . 48.4 t -63.78 -46.43 94.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 178.706 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 53.0 mtpt -50.85 -47.36 60.35 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-O 120.762 0.315 . . . . 0.0 110.41 179.078 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -60.93 -38.1 84.62 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.887 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.935 ' CG ' HD23 ' B' ' 12' ' ' LEU . 56.2 t80 -53.59 -62.67 1.5 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.183 179.268 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.402 ' HB3' ' HA2' ' B' ' 38' ' ' GLY . 27.7 m-85 -68.44 -38.8 81.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.599 179.337 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.507 ' ND2' HG21 ' B' ' 39' ' ' VAL . 32.5 t-20 -50.54 -38.75 46.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.457 0.646 . . . . 0.0 109.727 178.604 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -94.44 -23.11 17.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.808 -1.087 . . . . 0.0 112.317 -179.822 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.513 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.9 m-20 -82.09 -46.71 13.51 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.332 179.544 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -8.56 -114.24 0.0 OUTLIER Glycine 0 C--N 1.331 0.291 0 N-CA-C 115.567 0.987 . . . . 0.0 115.567 179.905 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.65 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.7 t -111.17 5.07 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -176.543 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -125.25 10.5 8.05 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 121.741 -0.599 . . . . 0.0 111.928 -179.83 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.45 173.42 54.83 Favored Glycine 0 CA--C 1.519 0.327 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.876 -179.569 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 47.8 mp0 -95.9 101.67 13.38 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.711 0.291 . . . . 0.0 110.298 179.562 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.614 ' HH2' HG12 ' B' ' 30' ' ' VAL . 9.6 m95 -96.12 115.88 28.12 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.816 0.672 . . . . 0.0 112.816 -178.367 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.2 p -109.58 138.21 46.27 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.077 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 7.0 t80 -112.98 142.85 45.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.724 0.297 . . . . 0.0 111.38 -178.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.507 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 65.2 t0 -123.3 84.11 2.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.709 179.684 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.414 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 12.5 m-20 -48.91 -35.71 15.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 0.0 111.35 -179.823 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.507 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.36 -35.46 28.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.084 -179.428 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.0 p -122.31 13.45 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 -179.466 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.464 ' HE3' ' CE2' ' B' ' 3' ' ' TYR . 9.3 mmmm 49.9 34.22 7.58 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 120.816 0.341 . . . . 0.0 110.541 179.916 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.781 HG23 ' O ' ' B' ' 4' ' ' LYS . 93.4 m -125.86 144.25 50.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.118 0.485 . . . . 0.0 112.025 -178.574 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 2.9 m-85 -109.51 139.45 44.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.211 179.31 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -116.46 123.08 46.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.177 0.513 . . . . 0.0 111.289 179.272 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.5 t -107.15 112.58 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.043 179.33 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.647 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 19.1 m -101.88 112.23 24.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.904 -179.456 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.473 ' HG3' ' HA2' ' B' ' 9' ' ' GLY . 1.7 pp20? . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.29 -0.862 . . . . 0.0 110.816 -179.577 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.514 ' HE3' ' CZ ' ' B' ' 3' ' ' TYR . 36.5 ttp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.707 0.289 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.422 ' C ' ' NE2' ' B' ' 2' ' ' GLN . 0.0 OUTLIER -107.94 144.62 34.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.679 -179.97 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.514 ' CZ ' ' HE3' ' B' ' 1' ' ' MET . 2.2 m-85 -129.66 148.01 51.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.826 -179.849 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.781 ' O ' HG23 ' A' ' 51' ' ' THR . 7.1 ttpm? -103.66 108.77 20.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.645 179.841 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.735 ' HB ' HG23 ' B' ' 16' ' ' THR . 60.9 t -94.83 130.63 43.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.092 0.472 . . . . 0.0 111.266 -179.738 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.449 ' CD1' HG21 ' A' ' 51' ' ' THR . 74.8 mt -105.48 121.47 57.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.654 179.757 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.434 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.3 mt -99.85 91.96 5.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.84 -179.96 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.647 ' O ' ' HA ' ' A' ' 55' ' ' THR . 32.5 t-20 -100.03 108.25 20.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.297 -178.142 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.473 ' HA2' ' HG3' ' A' ' 56' ' ' GLU . . . -115.8 -169.59 15.68 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.302 -0.951 . . . . 0.0 112.434 179.692 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.465 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.4 mtmp? -74.94 -54.97 6.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.79 0.329 . . . . 0.0 111.205 -179.762 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.572 ' OG1' HG13 ' A' ' 29' ' ' VAL . 7.1 p -111.17 10.47 21.86 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.243 -179.226 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 1.002 HD13 ' HB ' ' A' ' 18' ' ' THR . 29.2 tp -139.0 138.81 37.58 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.104 0.478 . . . . 0.0 111.436 -179.26 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.47 ' H ' HD12 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -144.56 144.65 31.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.213 179.694 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -176.56 -172.85 41.64 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.164 -1.017 . . . . 0.0 113.156 -179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -143.24 137.08 28.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.976 0.417 . . . . 0.0 110.496 179.842 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.769 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.1 OUTLIER -134.81 167.48 20.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.067 -179.705 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.487 ' O ' HD12 ' A' ' 12' ' ' LEU . 52.1 p -143.37 119.5 10.76 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 -178.892 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.989 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.4 t -107.99 145.01 34.49 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.406 178.55 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -107.47 114.28 28.18 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 179.662 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -145.01 152.51 40.25 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.294 0.569 . . . . 0.0 112.011 -179.378 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 23.1 t -50.92 -25.89 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.936 -179.006 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.477 ' OD2' ' HB3' ' B' ' 24' ' ' ALA . 9.8 p-10 -158.32 172.98 17.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.923 0.392 . . . . 0.0 111.415 179.761 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.49 -41.79 86.15 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.079 -179.721 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.477 ' HB3' ' OD2' ' B' ' 22' ' ' ASP . . . -63.83 -53.8 45.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.074 179.642 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.869 ' O ' HG23 ' B' ' 29' ' ' VAL . 10.9 p -55.36 -43.26 74.89 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.388 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.561 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -60.9 -52.03 66.75 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 178.029 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -50.46 -47.67 56.83 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.407 179.054 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -62.82 -45.78 91.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.047 179.274 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.869 HG23 ' O ' ' B' ' 25' ' ' THR . 94.1 t -53.2 -43.42 49.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.075 179.01 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.614 HG12 ' HH2' ' A' ' 43' ' ' TRP . 48.1 t -63.77 -46.34 94.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.321 178.676 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.449 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 53.0 mtpt -50.82 -47.48 60.03 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.378 178.999 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -60.82 -38.19 84.58 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.91 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.937 ' CG ' HD23 ' A' ' 12' ' ' LEU . 55.7 t80 -53.43 -62.67 1.5 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.279 179.217 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.41 ' HB3' ' HA2' ' A' ' 38' ' ' GLY . 27.7 m-85 -68.48 -38.77 81.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.656 179.272 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.509 ' ND2' HG21 ' A' ' 39' ' ' VAL . 32.6 t-20 -50.53 -38.77 46.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.51 0.672 . . . . 0.0 109.746 178.536 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -94.36 -23.12 17.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.856 -1.066 . . . . 0.0 112.472 -179.94 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.515 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.8 m-20 -82.0 -46.8 13.47 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.317 179.513 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.47 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -8.52 -114.25 0.0 OUTLIER Glycine 0 CA--C 1.52 0.395 0 N-CA-C 115.541 0.976 . . . . 0.0 115.541 179.935 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.643 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.7 t -111.24 5.05 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 -176.384 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -125.19 10.47 8.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 121.734 -0.604 . . . . 0.0 111.921 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.42 173.45 54.85 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.515 -0.85 . . . . 0.0 113.0 -179.65 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 47.7 mp0 -95.93 101.72 13.43 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.759 0.314 . . . . 0.0 110.229 179.563 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.608 ' HH2' HG12 ' A' ' 30' ' ' VAL . 9.7 m95 -96.05 115.86 28.07 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -178.455 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.409 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 73.6 p -109.58 138.26 46.21 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.08 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.502 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 6.9 t80 -113.08 142.92 45.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.825 0.345 . . . . 0.0 111.331 -178.933 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.514 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 65.2 t0 -123.37 84.17 2.23 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.599 179.762 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.415 ' OD1' ' CD2' ' B' ' 45' ' ' TYR . 12.6 m-20 -49.05 -35.64 16.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.297 -179.846 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.514 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.33 -35.6 28.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.042 -179.451 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 76.3 p -122.24 13.43 10.37 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.43 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.462 ' HE3' ' CE2' ' A' ' 3' ' ' TYR . 9.3 mmmm 49.91 34.24 7.64 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.689 0.281 . . . . 0.0 110.493 179.95 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.779 HG23 ' O ' ' A' ' 4' ' ' LYS . 93.3 m -125.81 144.29 50.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.198 0.523 . . . . 0.0 112.096 -178.666 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 2.9 m-85 -109.54 139.47 44.49 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.176 179.306 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.409 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 3.0 p -116.45 123.17 46.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.12 0.486 . . . . 0.0 111.189 179.283 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 60.0 t -107.08 112.49 40.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.141 179.217 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.643 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 19.0 m -101.79 112.24 24.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.99 -179.502 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.482 ' HG3' ' HA2' ' A' ' 9' ' ' GLY . 1.7 pp20? . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.772 -179.549 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.881 0.372 . . . . 0.0 111.341 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -104.14 142.01 35.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.001 179.159 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.54 ' CD2' ' HB3' ' B' ' 50' ' ' LYS . 49.0 m-85 -127.15 144.83 50.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.843 0.354 . . . . 0.0 111.255 -179.695 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.506 ' HA ' HG22 ' A' ' 17' ' ' THR . 5.1 tppp? -99.08 108.61 21.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.44 179.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.781 ' HB ' HG23 ' A' ' 16' ' ' THR . 47.5 t -94.61 126.95 46.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.051 0.453 . . . . 0.0 110.738 179.781 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.1 mt -104.44 119.41 53.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.93 -179.673 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.493 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.0 mt -98.69 88.04 3.95 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 179.483 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.705 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.4 t-20 -94.09 102.76 14.83 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -177.588 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.22 151.89 17.43 Favored Glycine 0 N--CA 1.449 -0.451 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.76 178.743 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HD3' ' HG3' ' B' ' 56' ' ' GLU . 4.3 mptp? -51.03 -52.53 42.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.789 0.328 . . . . 0.0 111.629 -179.532 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.7 p -99.18 -6.4 28.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.619 -179.103 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.95 HD13 ' HB ' ' B' ' 18' ' ' THR . 14.4 tp -134.04 135.78 43.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.921 -179.707 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.509 ' H ' HD12 ' A' ' 12' ' ' LEU . 60.8 mttp -144.92 143.2 30.44 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.604 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.537 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.71 -168.71 38.35 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.258 -0.972 . . . . 0.0 113.217 -179.958 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -147.07 142.11 27.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.879 0.371 . . . . 0.0 110.768 179.893 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.781 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -140.1 168.95 18.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.064 -179.72 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.506 HG22 ' HA ' ' A' ' 4' ' ' LYS . 73.2 p -143.68 121.09 11.66 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -179.041 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.95 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.7 t -106.07 144.7 32.41 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.451 178.303 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -103.92 112.33 25.26 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 179.428 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.748 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -143.35 149.4 37.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.198 0.523 . . . . 0.0 111.839 -179.307 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 23.7 t -50.94 -25.63 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.309 -0.86 . . . . 0.0 111.93 -179.068 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.483 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -156.09 178.14 10.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.881 0.372 . . . . 0.0 111.402 179.683 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.52 -43.07 99.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.588 -179.574 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.67 -54.08 44.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.452 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.867 ' O ' HG23 ' A' ' 29' ' ' VAL . 48.2 p -50.49 -45.39 56.35 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.233 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.669 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.65 -52.5 65.26 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.547 178.266 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 41.2 tt0 -54.85 -46.7 74.71 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.596 179.467 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.459 ' NZ ' ' HB3' ' A' ' 28' ' ' LYS . 4.0 mmmp? -60.89 -45.71 93.49 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.07 179.316 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.867 HG23 ' O ' ' A' ' 25' ' ' THR . 90.3 t -57.97 -39.38 71.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.923 179.01 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.744 HG12 ' CH2' ' B' ' 43' ' ' TRP . 60.2 t -66.6 -49.31 75.95 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 177.969 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.592 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 33.4 mmtm -46.48 -52.27 13.56 Favored 'General case' 0 C--N 1.341 0.207 0 CA-C-O 121.221 0.534 . . . . 0.0 109.621 178.478 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.412 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 3.4 tp-100 -60.87 -37.89 83.71 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.032 179.531 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.869 ' CG ' HD23 ' B' ' 12' ' ' LEU . 39.8 t80 -53.09 -64.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.238 179.357 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -68.48 -39.53 81.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.866 179.482 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.503 HD22 HG22 ' B' ' 39' ' ' VAL . 27.5 t-20 -52.06 -37.88 55.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.517 0.675 . . . . 0.0 109.538 178.399 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -94.12 -26.4 16.73 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 114.785 -1.098 . . . . 0.0 112.573 -179.484 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.443 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.1 m-20 -77.48 -40.51 42.77 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.005 0.431 . . . . 0.0 109.953 179.393 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -8.07 -117.68 0.0 OUTLIER Glycine 0 CA--C 1.521 0.43 0 CA-C-N 114.578 -1.192 . . . . 0.0 115.936 -179.838 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.496 HG22 HD22 ' B' ' 35' ' ' ASN . 83.0 t -81.86 -55.62 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 115.249 1.574 . . . . 0.0 115.249 -175.937 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.36 26.06 1.77 Allowed 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 -177.032 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.19 144.67 48.1 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 119.985 -1.102 . . . . 0.0 112.46 179.405 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -79.34 94.72 5.54 Favored 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.499 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.747 ' CH2' HG12 ' B' ' 30' ' ' VAL . 6.4 m0 -107.56 132.65 53.03 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.639 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.9 p -112.47 141.82 45.76 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 177.239 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.5 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 20.7 t80 -111.87 145.5 39.39 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -178.231 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.455 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.2 t0 -123.51 81.86 1.94 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.979 178.908 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.01 -36.9 8.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.962 -179.187 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.455 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.14 -33.94 20.59 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.189 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.6 p -128.6 13.4 6.46 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.705 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.538 ' HB3' ' CD2' ' B' ' 3' ' ' TYR . 14.0 mptt 52.48 28.65 6.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.812 0.339 . . . . 0.0 110.615 -179.14 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 88.5 m -106.56 134.66 49.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.12 0.486 . . . . 0.0 111.904 -178.826 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 1.9 m-85 -111.41 142.07 44.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.469 178.981 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.2 p -119.54 121.39 39.28 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.044 0.449 . . . . 0.0 111.548 179.907 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 70.6 t -101.65 107.3 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.36 179.477 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.704 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 36.3 m -103.65 119.49 39.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.158 -179.481 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.486 ' HG2' ' HA2' ' B' ' 9' ' ' GLY . 16.8 pt-20 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.279 -0.867 . . . . 0.0 110.943 -179.601 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.999 0.428 . . . . 0.0 111.335 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -103.96 142.04 35.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.032 179.186 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.538 ' CD2' ' HB3' ' A' ' 50' ' ' LYS . 49.3 m-85 -127.2 144.81 50.96 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.927 0.394 . . . . 0.0 111.143 -179.663 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.51 ' HA ' HG22 ' B' ' 17' ' ' THR . 5.1 tppp? -99.07 108.56 21.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.529 179.832 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.781 ' HB ' HG23 ' B' ' 16' ' ' THR . 47.6 t -94.54 126.96 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.079 0.466 . . . . 0.0 110.691 179.829 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 68.4 mt -104.48 119.46 53.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.905 -179.716 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.0 mt -98.72 87.98 3.93 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.473 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.704 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.6 t-20 -94.01 102.81 14.9 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -177.612 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.29 151.86 17.42 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 121.122 -0.561 . . . . 0.0 111.732 178.755 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.411 ' HD3' ' HG3' ' A' ' 56' ' ' GLU . 4.3 mptp? -50.9 -52.65 39.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 111.611 -179.484 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 19.5 p -99.16 -6.4 28.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.576 -179.021 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.95 HD13 ' HB ' ' A' ' 18' ' ' THR . 14.5 tp -134.02 135.78 43.62 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.865 -179.68 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.507 ' H ' HD12 ' B' ' 12' ' ' LEU . 60.8 mttp -144.94 143.23 30.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.654 179.93 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.534 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.69 -168.66 38.27 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.279 -0.962 . . . . 0.0 113.216 -179.892 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -147.12 142.23 27.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.934 0.397 . . . . 0.0 110.724 179.853 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.781 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.1 OUTLIER -140.16 168.85 18.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.098 -179.678 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.51 HG22 ' HA ' ' B' ' 4' ' ' LYS . 73.3 p -143.59 120.99 11.65 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -179.058 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.95 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.7 t -106.04 144.63 32.48 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.491 178.227 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -103.82 112.35 25.27 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 179.392 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.745 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -143.3 149.41 37.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.154 0.502 . . . . 0.0 111.92 -179.219 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 24.1 t -51.0 -25.75 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.814 -179.007 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.485 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -156.04 178.21 10.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.857 0.36 . . . . 0.0 111.335 179.681 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.47 -43.11 99.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.583 -179.584 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.76 -53.96 46.3 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.582 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.868 ' O ' HG23 ' B' ' 29' ' ' VAL . 47.7 p -50.58 -45.22 57.1 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.241 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.672 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.8 -52.36 65.77 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.641 178.168 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.517 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 41.3 tt0 -54.83 -46.8 74.64 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.543 179.356 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.45 ' NZ ' ' HB3' ' B' ' 28' ' ' LYS . 4.0 mmmp? -60.82 -45.87 92.76 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.069 179.36 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.868 HG23 ' O ' ' B' ' 25' ' ' THR . 91.6 t -57.9 -39.38 71.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.912 179.021 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.747 HG12 ' CH2' ' A' ' 43' ' ' TRP . 59.8 t -66.63 -49.32 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 177.966 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.585 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 33.5 mmtm -46.29 -52.45 12.62 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 178.338 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.41 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 3.4 tp-100 -60.75 -37.97 83.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.035 179.566 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.866 ' CG ' HD23 ' A' ' 12' ' ' LEU . 39.8 t80 -53.09 -64.1 0.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.207 179.361 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -68.45 -39.57 81.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.758 179.578 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.496 HD22 HG22 ' A' ' 39' ' ' VAL . 27.8 t-20 -51.92 -37.96 54.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.517 0.675 . . . . 0.0 109.516 178.441 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -94.14 -26.32 16.75 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 114.775 -1.102 . . . . 0.0 112.634 -179.433 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.443 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.9 m-20 -77.5 -40.49 42.72 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.957 0.408 . . . . 0.0 110.014 179.287 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -8.14 -117.67 0.0 OUTLIER Glycine 0 C--N 1.332 0.352 0 CA-C-N 114.607 -1.179 . . . . 0.0 115.978 -179.901 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.503 HG22 HD22 ' A' ' 35' ' ' ASN . 83.3 t -81.83 -55.68 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 -175.924 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.23 25.95 1.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -177.099 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.19 144.66 48.09 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.013 -1.089 . . . . 0.0 112.333 179.538 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -79.33 94.7 5.53 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.435 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.744 ' CH2' HG12 ' A' ' 30' ' ' VAL . 6.4 m0 -107.57 132.57 53.13 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -178.608 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.424 ' OG1' ' OG1' ' B' ' 53' ' ' THR . 69.0 p -112.28 141.82 45.53 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 177.234 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.505 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 20.6 t80 -111.87 145.49 39.39 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -178.234 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.456 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.2 t0 -123.55 81.93 1.95 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.006 178.805 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -47.02 -36.99 8.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.886 -179.206 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.456 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.11 -33.83 20.04 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.158 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 69.6 p -128.7 13.33 6.4 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.711 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.54 ' HB3' ' CD2' ' A' ' 3' ' ' TYR . 14.0 mptt 52.52 28.58 6.14 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.902 0.382 . . . . 0.0 110.651 -179.177 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 88.6 m -106.62 134.6 49.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.159 0.504 . . . . 0.0 111.964 -178.838 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.505 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 1.9 m-85 -111.3 142.03 44.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.412 179.097 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.424 ' OG1' ' OG1' ' B' ' 44' ' ' THR . 3.3 p -119.49 121.31 39.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.185 0.517 . . . . 0.0 111.646 179.772 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 69.3 t -101.53 107.24 21.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.382 179.468 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.705 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 34.8 m -103.48 119.37 38.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.258 -179.597 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.491 ' HG2' ' HA2' ' A' ' 9' ' ' GLY . 16.8 pt-20 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.255 -0.878 . . . . 0.0 110.955 -179.634 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.453 ' HG2' ' CZ ' ' A' ' 3' ' ' TYR . 52.5 tpp . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 121.083 0.468 . . . . 0.0 111.495 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -98.4 129.79 45.04 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.408 178.867 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.453 ' CZ ' ' HG2' ' A' ' 1' ' ' MET . 87.2 m-85 -116.83 146.37 42.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.0 0.429 . . . . 0.0 111.395 -179.515 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.612 ' O ' HG23 ' B' ' 51' ' ' THR . 55.0 tptt -108.71 100.53 9.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.0 179.843 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.604 ' HB ' HG23 ' A' ' 16' ' ' THR . 96.0 t -94.02 132.68 37.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.94 0.4 . . . . 0.0 110.952 -179.478 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.737 HG22 ' OD1' ' A' ' 8' ' ' ASN . 59.9 mt -112.05 133.11 58.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.501 -179.838 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.485 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 16.2 mt -111.81 93.64 4.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.656 -179.319 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.737 ' OD1' HG22 ' A' ' 6' ' ' ILE . 6.2 m120 -98.2 109.69 22.4 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.597 -179.462 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.401 ' HA3' ' HE1' ' B' ' 33' ' ' PHE . . . -116.37 -166.05 14.34 Favored Glycine 0 C--N 1.329 0.19 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.622 179.617 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.474 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.3 mtmp? -80.98 -55.9 4.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.885 0.374 . . . . 0.0 110.4 179.719 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.419 ' HB ' HG11 ' B' ' 29' ' ' VAL . 3.6 p -105.34 3.53 29.92 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.984 -179.501 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.009 HD13 ' HB ' ' B' ' 18' ' ' THR . 23.5 tp -139.6 138.73 36.43 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 121.179 0.514 . . . . 0.0 111.809 -179.21 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.517 ' H ' HD12 ' A' ' 12' ' ' LEU . 2.1 mptp? -143.89 145.4 32.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.639 179.113 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.25 -172.29 42.5 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 119.722 -1.227 . . . . 0.0 113.558 -179.826 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.513 ' HB3' ' HE3' ' A' ' 4' ' ' LYS . 52.9 mp0 -141.03 151.1 43.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.356 -0.422 . . . . 0.0 110.185 179.768 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.784 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -151.12 168.4 24.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.968 -179.583 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.54 HG22 ' HA ' ' A' ' 4' ' ' LYS . 71.8 p -143.43 120.64 11.51 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 -178.731 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 1.011 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.9 t -112.1 147.19 36.59 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.525 178.511 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -110.07 120.9 43.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.506 0.193 . . . . 0.0 110.85 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.507 ' HB1' ' OG1' ' A' ' 25' ' ' THR . . . -149.11 153.61 38.01 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.202 0.525 . . . . 0.0 112.048 -179.808 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 25.6 t -51.15 -25.8 4.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.771 -179.07 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.47 ' OD1' HG23 ' A' ' 25' ' ' THR . 6.8 p-10 -157.42 174.35 15.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.964 0.411 . . . . 0.0 111.492 179.71 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.463 ' HB1' ' HZ ' ' B' ' 52' ' ' PHE . . . -58.91 -42.8 90.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.198 -179.697 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.64 -56.6 18.11 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 179.325 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.849 ' O ' HG23 ' A' ' 29' ' ' VAL . 26.6 p -50.58 -44.37 56.82 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 178.344 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.758 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.15 -51.97 67.31 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 177.974 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -51.65 -50.19 60.83 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.075 179.301 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.43 -45.8 85.95 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.427 179.471 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 25' ' ' THR . 91.9 t -56.33 -40.54 67.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.552 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.769 ' CG2' HG21 ' A' ' 18' ' ' THR . 97.2 t -66.59 -49.7 72.76 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 177.737 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' HA ' ' CH2' ' B' ' 43' ' ' TRP . 95.4 mttt -46.77 -48.26 20.63 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.422 0.63 . . . . 0.0 110.274 178.358 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -59.42 -34.84 72.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.021 -0.99 . . . . 0.0 109.55 -179.896 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.856 ' CG ' HD23 ' B' ' 12' ' ' LEU . 35.7 t80 -54.9 -62.21 1.81 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.076 179.055 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -68.75 -40.76 79.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.766 179.579 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.414 ' ND2' HG22 ' B' ' 39' ' ' VAL . 31.0 t-20 -49.35 -38.89 29.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.601 0.715 . . . . 0.0 109.703 178.249 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -94.62 -24.84 17.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.742 -1.117 . . . . 0.0 112.795 -179.566 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.1 m-20 -76.37 -41.93 46.36 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 179.211 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.15 -120.11 0.0 OUTLIER Glycine 0 CA--C 1.521 0.426 0 CA-C-N 114.524 -1.216 . . . . 0.0 115.888 179.896 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.416 HG22 ' ND2' ' B' ' 35' ' ' ASN . 89.6 t -84.83 -55.33 7.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 115.491 1.663 . . . . 0.0 115.491 -175.708 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -86.96 26.92 1.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 -176.959 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.96 159.45 53.89 Favored Glycine 0 CA--C 1.52 0.388 0 C-N-CA 119.899 -1.143 . . . . 0.0 112.095 179.336 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -88.04 96.56 10.56 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.88 0.34 . . . . 0.0 110.217 179.32 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.562 ' CH2' HG12 ' B' ' 30' ' ' VAL . 7.2 m0 -100.29 121.33 41.31 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.157 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.422 ' HG1' ' HG1' ' A' ' 53' ' ' THR . 62.2 p -105.67 135.0 47.87 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 177.665 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 14.1 t80 -106.71 142.04 37.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.96 0.41 . . . . 0.0 112.055 -178.548 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.459 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 65.2 t0 -123.57 81.23 1.88 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.372 179.074 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.48 -36.06 6.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.619 -179.52 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.459 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.01 -34.09 20.13 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -179.229 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.3 p -128.36 12.72 6.53 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 -179.505 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm 54.09 30.68 12.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.886 0.374 . . . . 0.0 110.334 -179.557 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.615 HG23 ' O ' ' B' ' 4' ' ' LYS . 95.3 m -105.11 149.39 25.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.731 -178.918 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.507 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 26.0 m-85 -125.36 95.32 4.43 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-O 121.36 0.6 . . . . 0.0 111.886 179.537 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.422 ' HG1' ' HG1' ' A' ' 44' ' ' THR . 2.7 p -75.42 126.45 31.04 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.302 179.313 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.7 t -112.24 111.54 36.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.978 179.345 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.645 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 26.4 m -100.5 116.24 31.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.914 0.387 . . . . 0.0 111.783 -178.986 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.312 -0.851 . . . . 0.0 111.315 179.909 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.454 ' HG3' ' CE1' ' B' ' 3' ' ' TYR . 52.5 tpp . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.976 0.417 . . . . 0.0 111.572 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -98.36 129.9 45.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.403 178.792 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.454 ' CE1' ' HG3' ' B' ' 1' ' ' MET . 86.9 m-85 -116.92 146.39 43.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.974 0.416 . . . . 0.0 111.462 -179.587 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.615 ' O ' HG23 ' A' ' 51' ' ' THR . 55.0 tptt -108.66 100.46 9.7 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.084 179.891 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.605 ' HB ' HG23 ' B' ' 16' ' ' THR . 94.7 t -93.98 132.74 37.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.967 0.413 . . . . 0.0 110.981 -179.451 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.741 HG22 ' OD1' ' B' ' 8' ' ' ASN . 60.0 mt -112.14 133.02 59.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.57 -179.888 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.48 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 16.0 mt -111.64 93.49 4.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.642 -179.219 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.741 ' OD1' HG22 ' B' ' 6' ' ' ILE . 6.2 m120 -98.1 109.66 22.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.528 -179.426 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.47 -165.98 14.27 Favored Glycine 0 N--CA 1.453 -0.174 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.555 179.602 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.473 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.3 mtmp? -81.02 -55.87 4.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.922 0.392 . . . . 0.0 110.443 179.743 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.412 ' HB ' HG11 ' A' ' 29' ' ' VAL . 3.6 p -105.3 3.55 30.04 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.025 -179.596 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 1.011 HD13 ' HB ' ' A' ' 18' ' ' THR . 23.6 tp -139.62 138.81 36.45 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.25 0.548 . . . . 0.0 111.809 -179.287 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.518 ' H ' HD12 ' B' ' 12' ' ' LEU . 2.1 mptp? -143.89 145.45 32.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.583 179.107 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.509 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.26 -172.23 42.45 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 119.774 -1.203 . . . . 0.0 113.544 -179.894 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.513 ' HB3' ' HE3' ' B' ' 4' ' ' LYS . 52.9 mp0 -141.07 151.14 43.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.403 -0.399 . . . . 0.0 110.219 179.712 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.777 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -151.15 168.46 24.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.989 -179.579 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.54 HG22 ' HA ' ' B' ' 4' ' ' LYS . 72.5 p -143.46 120.56 11.44 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -178.693 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 1.009 ' HB ' HD13 ' A' ' 12' ' ' LEU . 13.0 t -112.0 147.24 36.37 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.632 178.529 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -110.16 120.89 43.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.591 0.234 . . . . 0.0 110.787 -179.949 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.504 ' HB1' ' OG1' ' B' ' 25' ' ' THR . . . -149.1 153.5 37.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.195 0.521 . . . . 0.0 112.101 -179.808 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 25.2 t -51.01 -25.89 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.871 -179.177 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.466 ' OD1' HG23 ' B' ' 25' ' ' THR . 6.8 p-10 -157.33 174.48 15.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 111.607 179.563 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.461 ' HB1' ' HZ ' ' A' ' 52' ' ' PHE . . . -58.85 -43.01 90.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.669 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.62 -56.44 19.82 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.448 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.847 ' O ' HG23 ' B' ' 29' ' ' VAL . 26.0 p -50.67 -44.39 57.73 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 178.308 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.757 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.15 -51.77 68.18 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.936 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -51.83 -50.2 61.33 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.009 179.341 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.39 -45.71 86.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.491 179.437 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.847 HG23 ' O ' ' B' ' 25' ' ' THR . 92.5 t -56.48 -40.4 67.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 178.538 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.763 ' CG2' HG21 ' B' ' 18' ' ' THR . 99.7 t -66.74 -49.5 73.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 177.732 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.453 ' HA ' ' CH2' ' A' ' 43' ' ' TRP . 95.2 mttt -47.01 -48.22 21.9 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-O 121.375 0.607 . . . . 0.0 110.171 178.499 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -59.32 -34.9 72.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.913 -1.04 . . . . 0.0 109.595 -179.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.861 ' CG ' HD23 ' A' ' 12' ' ' LEU . 35.6 t80 -54.86 -62.32 1.74 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.004 179.078 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -68.6 -40.67 80.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.868 179.61 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.416 ' ND2' HG22 ' A' ' 39' ' ' VAL . 30.9 t-20 -49.55 -38.72 31.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.618 0.723 . . . . 0.0 109.731 178.313 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -94.86 -24.71 16.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.668 -1.151 . . . . 0.0 112.769 -179.484 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.448 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.0 m-20 -76.37 -41.86 46.63 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.062 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.18 -120.13 0.0 OUTLIER Glycine 0 CA--C 1.521 0.411 0 CA-C-N 114.465 -1.243 . . . . 0.0 115.884 179.841 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.414 HG22 ' ND2' ' A' ' 35' ' ' ASN . 88.7 t -84.91 -55.13 7.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 115.55 1.685 . . . . 0.0 115.55 -175.731 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -86.9 26.79 1.08 Allowed 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -177.087 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.01 159.54 53.93 Favored Glycine 0 CA--C 1.52 0.404 0 C-N-CA 119.831 -1.176 . . . . 0.0 112.017 179.422 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -88.15 96.63 10.61 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 179.361 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.559 ' CH2' HG12 ' A' ' 30' ' ' VAL . 7.2 m0 -100.29 121.26 41.2 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -178.257 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . 0.414 ' HG1' ' HG1' ' B' ' 53' ' ' THR . 63.0 p -105.54 134.93 47.85 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.671 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.504 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 14.0 t80 -106.72 142.08 36.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.071 0.462 . . . . 0.0 112.062 -178.626 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.455 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 65.2 t0 -123.49 81.29 1.88 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.386 179.053 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.58 -35.99 6.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.552 -179.492 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.455 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.11 -34.09 20.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.261 -179.191 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 72.4 p -128.34 12.78 6.55 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -179.494 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 49.2 mmtm 54.1 30.63 12.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.938 0.399 . . . . 0.0 110.395 -179.565 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 4' ' ' LYS . 95.5 m -105.25 149.36 26.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.655 -178.819 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.504 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 25.9 m-85 -125.35 95.34 4.43 Favored 'General case' 0 C--O 1.231 0.106 0 CA-C-O 121.424 0.631 . . . . 0.0 111.907 179.539 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.414 ' HG1' ' HG1' ' B' ' 44' ' ' THR . 2.7 p -75.45 126.51 31.16 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.356 179.311 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 71.8 t -112.19 111.51 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.047 179.382 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.651 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 26.3 m -100.56 116.23 32.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.92 0.391 . . . . 0.0 111.784 -178.917 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.231 -0.89 . . . . 0.0 111.258 179.979 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtm . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 121.107 0.479 . . . . 0.0 111.507 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -107.24 147.46 30.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.691 178.915 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.403 ' O ' ' HA ' ' A' ' 17' ' ' THR . 4.3 m-85 -129.38 148.51 51.31 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.742 0.306 . . . . 0.0 110.944 -179.738 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.817 ' O ' HG23 ' B' ' 51' ' ' THR . 24.4 ttmm -108.01 107.84 18.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.172 179.716 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.66 HG13 ' HB2' ' B' ' 52' ' ' PHE . 61.9 t -94.12 124.09 46.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.394 0.616 . . . . 0.0 111.496 -179.091 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' B' ' 53' ' ' THR . 72.2 mt -94.92 120.67 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.32 179.298 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.458 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.6 mt -99.0 88.64 4.03 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.752 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.531 ' O ' ' HA ' ' B' ' 55' ' ' THR . 32.2 t-20 -97.66 106.81 19.18 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.225 -177.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.84 -165.89 14.05 Favored Glycine 0 C--N 1.329 0.191 0 C-N-CA 120.562 -0.827 . . . . 0.0 112.5 179.28 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.481 ' NZ ' ' HB2' ' A' ' 10' ' ' LYS . 10.4 mtmp? -76.98 -56.5 4.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.709 0.29 . . . . 0.0 111.053 -179.933 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.63 ' OG1' HG13 ' B' ' 29' ' ' VAL . 7.1 p -108.19 7.86 27.67 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.219 -179.299 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.965 HD13 ' HB ' ' B' ' 18' ' ' THR . 25.7 tp -138.76 137.98 37.21 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 121.265 0.555 . . . . 0.0 111.532 -179.486 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.459 ' H ' HD12 ' A' ' 12' ' ' LEU . 96.9 mttt -145.45 146.29 31.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.749 179.192 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.542 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -178.6 -168.69 38.25 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 119.79 -1.195 . . . . 0.0 113.536 -179.854 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -146.54 135.27 22.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.962 0.41 . . . . 0.0 110.451 179.86 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.723 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -133.43 168.55 18.41 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.66 -179.961 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 4' ' ' LYS . 40.1 p -143.21 116.88 9.22 Favored 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.734 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.981 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.1 t -103.65 140.33 37.71 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.599 178.274 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -100.14 108.42 20.55 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 179.338 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.568 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -143.37 150.23 38.82 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.2 0.524 . . . . 0.0 112.125 -178.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -51.08 -36.86 16.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.321 -0.854 . . . . 0.0 112.218 -178.827 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.542 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.8 p30 -145.94 172.04 13.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.907 0.384 . . . . 0.0 111.446 179.807 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.63 -42.71 83.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.668 -179.365 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.68 -53.08 59.84 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.649 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.813 ' O ' HG23 ' A' ' 29' ' ' VAL . 76.9 p -53.51 -45.49 69.75 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 178.517 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.96 -52.89 63.45 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.092 177.986 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.34 -48.79 62.33 Favored 'General case' 0 N--CA 1.457 -0.08 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.496 179.178 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -60.42 -43.42 96.75 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.07 0.462 . . . . 0.0 109.869 179.253 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 25' ' ' THR . 69.0 t -56.67 -41.41 74.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.243 178.932 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.613 ' O ' ' HB3' ' A' ' 33' ' ' PHE . 30.6 t -66.4 -48.63 80.2 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.517 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 28.4 mtpp -49.29 -49.43 43.73 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.057 0.456 . . . . 0.0 110.069 178.711 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -60.66 -37.23 80.88 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.525 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.879 ' CG ' HD23 ' B' ' 12' ' ' LEU . 47.0 t80 -54.52 -60.44 3.34 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.053 179.087 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.427 ' CE2' HG12 ' A' ' 30' ' ' VAL . 24.2 m-85 -69.73 -39.78 76.59 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.771 179.167 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.468 ' ND2' HG21 ' B' ' 39' ' ' VAL . 35.8 t-20 -49.44 -39.67 34.03 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.553 0.692 . . . . 0.0 109.778 178.67 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.71 -22.89 17.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.649 -1.16 . . . . 0.0 112.608 -179.861 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.473 ' O ' ' C ' ' A' ' 38' ' ' GLY . 87.9 m-20 -79.14 -46.29 18.27 Favored 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 120.61 -0.436 . . . . 0.0 109.943 179.216 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.473 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -5.62 -117.32 0.0 OUTLIER Glycine 0 CA--C 1.52 0.389 0 CA-C-N 114.774 -1.103 . . . . 0.0 115.431 179.86 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.5 t -110.01 5.03 8.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 114.112 1.153 . . . . 0.0 114.112 -176.295 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -125.15 12.97 8.32 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 118.582 0.628 . . . . 0.0 111.94 -179.812 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.29 174.77 53.58 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.607 -0.806 . . . . 0.0 113.062 -179.714 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -96.17 99.38 11.12 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.866 0.365 . . . . 0.0 110.387 179.69 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.604 ' HH2' HG12 ' B' ' 30' ' ' VAL . 20.8 m95 -91.4 111.86 23.53 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -178.468 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.4 p -108.32 134.9 50.5 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.188 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.497 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 9.0 t80 -111.41 147.08 35.99 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.053 0.454 . . . . 0.0 111.626 -178.845 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.462 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.8 t0 -123.23 81.9 1.94 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.6 179.509 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.412 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 54.8 m-20 -47.7 -35.16 9.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.617 -179.632 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.54 -33.7 15.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.979 -178.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.9 p -128.2 17.02 6.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.546 -179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mttm 48.47 35.65 6.2 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.107 0.479 . . . . 0.0 110.404 -179.425 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.808 HG23 ' O ' ' B' ' 4' ' ' LYS . 95.6 m -116.43 140.94 48.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.565 -178.84 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.664 ' HB2' HG13 ' B' ' 5' ' ' VAL . 24.6 m-85 -106.97 130.03 54.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.439 179.417 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 3.0 p -111.23 123.63 50.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.157 0.503 . . . . 0.0 111.593 179.395 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -107.0 106.6 20.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.102 178.697 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.526 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 8.5 m -93.66 109.83 21.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.939 0.399 . . . . 0.0 111.882 -178.267 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.206 -0.902 . . . . 0.0 111.143 179.747 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtm . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 121.089 0.471 . . . . 0.0 111.422 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -107.27 147.45 30.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.691 178.894 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' B' ' 17' ' ' THR . 4.1 m-85 -129.42 148.35 51.33 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.704 0.288 . . . . 0.0 110.996 -179.627 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.808 ' O ' HG23 ' A' ' 51' ' ' THR . 24.4 ttmm -107.9 107.85 18.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.163 179.739 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.664 HG13 ' HB2' ' A' ' 52' ' ' PHE . 60.9 t -94.1 124.01 46.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.389 0.614 . . . . 0.0 111.559 -179.198 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' A' ' 53' ' ' THR . 72.3 mt -94.89 120.64 44.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.279 179.352 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.5 mt -98.98 88.58 4.02 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 179.669 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.526 ' O ' ' HA ' ' A' ' 55' ' ' THR . 32.2 t-20 -97.63 106.86 19.24 Favored 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.17 -0.468 . . . . 0.0 112.219 -177.807 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -116.93 -165.93 14.02 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 120.512 -0.851 . . . . 0.0 112.499 179.319 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.475 ' HB2' ' NZ ' ' B' ' 10' ' ' LYS . 10.3 mtmp? -76.81 -56.69 4.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.868 0.366 . . . . 0.0 111.055 -179.972 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.635 ' OG1' HG13 ' A' ' 29' ' ' VAL . 7.1 p -108.05 7.74 27.91 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.267 -179.256 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.981 HD13 ' HB ' ' A' ' 18' ' ' THR . 25.5 tp -138.76 138.14 37.35 Favored 'General case' 0 N--CA 1.45 -0.464 0 CA-C-O 121.347 0.594 . . . . 0.0 111.462 -179.485 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.458 ' H ' HD12 ' B' ' 12' ' ' LEU . 96.8 mttt -145.46 146.21 31.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.771 179.252 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.542 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -178.6 -168.66 38.21 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 119.808 -1.187 . . . . 0.0 113.537 -179.878 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -146.55 135.15 22.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.917 0.389 . . . . 0.0 110.505 179.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.71 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -133.51 168.49 18.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.661 -179.981 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.5 HG22 ' HA ' ' B' ' 4' ' ' LYS . 39.9 p -143.21 117.0 9.29 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -178.666 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.965 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.1 t -103.7 140.35 37.72 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.512 178.385 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -100.18 108.48 20.6 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 179.285 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -143.45 150.22 38.7 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.326 0.584 . . . . 0.0 112.138 -178.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -50.98 -36.99 16.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.153 -178.776 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.543 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.8 p30 -145.89 172.07 13.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.912 0.387 . . . . 0.0 111.42 179.888 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.74 -42.65 84.36 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.616 -179.319 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.54 -53.16 58.89 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 110.161 -0.311 . . . . 0.0 110.161 179.542 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.81 ' O ' HG23 ' B' ' 29' ' ' VAL . 76.6 p -53.65 -45.44 70.22 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 178.612 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.561 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -59.94 -52.81 63.84 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.167 177.932 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -51.46 -48.75 62.7 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.512 179.129 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -60.41 -43.39 96.75 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-O 121.11 0.481 . . . . 0.0 109.882 179.215 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.81 HG23 ' O ' ' B' ' 25' ' ' THR . 69.0 t -56.78 -41.31 75.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.183 179.03 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.609 ' O ' ' HB3' ' B' ' 33' ' ' PHE . 31.1 t -66.42 -48.67 80.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 178.51 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 28.3 mtpp -49.15 -49.49 42.08 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.094 0.473 . . . . 0.0 110.121 178.684 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -60.72 -37.11 80.6 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.073 179.593 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.883 ' CG ' HD23 ' A' ' 12' ' ' LEU . 46.5 t80 -54.6 -60.4 3.4 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.054 179.053 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.431 ' CE2' HG12 ' B' ' 30' ' ' VAL . 24.2 m-85 -69.69 -39.84 76.71 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.726 179.157 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.459 ' ND2' HG21 ' A' ' 39' ' ' VAL . 35.8 t-20 -49.43 -39.73 33.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.562 0.696 . . . . 0.0 109.814 178.661 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.68 -22.85 17.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.574 -1.194 . . . . 0.0 112.634 -179.849 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.474 ' O ' ' C ' ' B' ' 38' ' ' GLY . 87.9 m-20 -79.08 -46.28 18.4 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.019 0.438 . . . . 0.0 109.976 179.182 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -5.8 -117.32 0.0 OUTLIER Glycine 0 C--N 1.334 0.429 0 CA-C-N 114.724 -1.125 . . . . 0.0 115.335 179.932 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.647 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.5 t -110.02 5.12 8.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -176.233 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -125.22 13.1 8.29 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 118.565 0.62 . . . . 0.0 111.941 -179.886 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -82.41 174.8 53.48 Favored Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.988 -179.657 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -96.2 99.29 11.03 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 120.857 0.36 . . . . 0.0 110.487 179.675 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.6 ' HH2' HG12 ' A' ' 30' ' ' VAL . 20.4 m95 -91.28 111.79 23.42 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -178.404 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 72.7 p -108.27 134.85 50.53 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.128 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.494 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 9.0 t80 -111.37 147.11 35.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.031 0.443 . . . . 0.0 111.663 -178.877 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.46 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.8 t0 -123.23 81.93 1.94 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.602 179.507 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.412 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 54.5 m-20 -47.73 -35.13 9.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.674 -179.642 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.46 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.68 -33.55 16.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.941 -178.907 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 72.6 p -128.32 17.03 6.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.709 -0.223 . . . . 0.0 111.458 -179.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 17.3 mttm 48.57 35.55 6.24 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.054 0.454 . . . . 0.0 110.362 -179.557 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.817 HG23 ' O ' ' A' ' 4' ' ' LYS . 95.3 m -116.38 141.0 48.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.648 -178.882 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.66 ' HB2' HG13 ' A' ' 5' ' ' VAL . 24.6 m-85 -106.98 130.05 54.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.326 179.58 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 2.9 p -111.32 123.55 50.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.209 0.528 . . . . 0.0 111.451 179.449 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 59.4 t -106.99 106.68 21.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.039 178.601 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.531 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 8.4 m -93.67 109.89 21.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.071 0.463 . . . . 0.0 111.811 -178.342 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.171 -0.918 . . . . 0.0 111.142 179.65 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.467 ' CE ' ' CZ ' ' A' ' 3' ' ' TYR . 4.9 tmm? . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.678 0.275 . . . . 0.0 110.353 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -95.72 134.94 38.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.676 0.274 . . . . 0.0 110.478 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.467 ' CZ ' ' CE ' ' A' ' 1' ' ' MET . 93.9 m-85 -125.02 140.41 52.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.068 -179.939 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.507 ' O ' HG23 ' B' ' 51' ' ' THR . 4.8 ttmp? -105.59 110.33 22.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.067 179.367 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.626 HG21 HG21 ' A' ' 30' ' ' VAL . 59.7 t -94.89 135.27 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-O 121.242 0.544 . . . . 0.0 110.789 -179.824 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.822 HG22 ' OD1' ' A' ' 8' ' ' ASN . 69.2 mt -110.85 130.25 64.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.353 -179.775 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.523 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 10.6 mt -109.6 102.78 11.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.242 -179.427 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.822 ' OD1' HG22 ' A' ' 6' ' ' ILE . 6.2 m120 -105.36 102.68 12.15 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.048 -178.794 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.19 151.34 17.64 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.539 179.173 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -46.27 -55.91 6.53 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.77 0.319 . . . . 0.0 111.705 -179.82 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.607 ' HB ' HG11 ' B' ' 29' ' ' VAL . 3.2 p -98.89 -4.85 32.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 112.064 -178.848 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.966 HD13 ' HB ' ' B' ' 18' ' ' THR . 18.4 tp -137.17 137.14 38.86 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.359 -179.558 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.515 ' H ' HD12 ' A' ' 12' ' ' LEU . 27.6 mtpp -145.25 145.56 31.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.68 179.599 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.517 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.64 -171.17 42.8 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.095 -1.05 . . . . 0.0 113.589 -179.97 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -138.08 151.15 47.54 Favored 'General case' 0 C--N 1.333 -0.137 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.57 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.768 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -151.21 168.99 23.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.956 -179.435 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.487 ' O ' HD12 ' B' ' 12' ' ' LEU . 73.2 p -143.67 122.84 12.93 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.742 0.645 . . . . 0.0 112.742 -179.023 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.967 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.9 t -111.17 144.51 40.21 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.964 178.874 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -104.78 113.67 27.4 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 179.602 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -146.11 151.29 37.46 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.245 0.545 . . . . 0.0 112.02 -179.327 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.3 t -50.94 -26.97 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.971 -179.006 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.481 ' OD1' HG23 ' A' ' 25' ' ' THR . 7.3 p-10 -158.95 174.44 14.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.964 0.411 . . . . 0.0 111.778 179.564 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.65 -42.42 88.31 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.204 -179.595 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' O ' ' HD3' ' A' ' 28' ' ' LYS . . . -62.16 -57.73 10.42 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.189 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.91 ' O ' HG23 ' A' ' 29' ' ' VAL . 31.1 p -50.53 -44.85 56.45 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.038 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.742 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -59.26 -49.86 76.21 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.528 178.246 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 2.8 tp10 -52.14 -48.4 64.9 Favored 'General case' 0 N--CA 1.457 -0.108 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.431 179.617 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 31' ' ' LYS . 10.9 mptt -65.58 -48.97 70.52 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.551 179.46 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.91 HG23 ' O ' ' A' ' 25' ' ' THR . 57.5 t -49.51 -41.36 15.71 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.207 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.543 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 26' ' ' ALA . 63.0 t -64.07 -46.38 93.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 CA-C-N 115.072 -0.967 . . . . 0.0 108.555 177.393 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.62 ' HD3' ' CH2' ' B' ' 43' ' ' TRP . 37.3 mmtm -47.55 -52.96 15.87 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-O 121.134 0.493 . . . . 0.0 109.711 178.766 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.452 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 3.6 tp-100 -57.59 -39.67 77.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.268 179.658 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.829 ' CD2' HD23 ' B' ' 12' ' ' LEU . 19.1 t80 -51.85 -67.77 0.22 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.007 179.411 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.451 ' CD1' ' CD1' ' B' ' 34' ' ' PHE . 26.1 m-85 -63.95 -36.86 85.34 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.208 179.439 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.452 ' HB3' ' HA ' ' A' ' 32' ' ' GLN . 29.4 t-20 -53.72 -38.81 64.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.391 0.615 . . . . 0.0 110.004 178.57 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -92.29 -24.01 19.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.864 -179.599 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 38' ' ' GLY . 79.7 m-20 -82.44 -46.13 13.88 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.013 0.435 . . . . 0.0 110.618 179.724 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -15.44 -110.84 0.0 OUTLIER Glycine 0 CA--C 1.52 0.361 0 N-CA-C 115.921 1.129 . . . . 0.0 115.921 -179.23 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.639 HG12 ' O ' ' A' ' 39' ' ' VAL . 22.7 t -111.15 5.4 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 -176.7 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -125.61 6.35 7.53 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.869 -0.519 . . . . 0.0 111.539 179.891 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.58 176.03 51.0 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.234 -179.417 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 2.3 mp0 -117.22 121.15 40.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.751 0.31 . . . . 0.0 110.3 179.532 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.658 ' CG ' HG22 ' A' ' 54' ' ' VAL . 10.6 m0 -120.15 144.55 47.61 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.051 -179.847 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.5 p -113.73 142.78 45.62 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 178.159 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.488 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 14.2 t80 -109.21 142.37 40.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.979 0.419 . . . . 0.0 111.871 -178.785 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.433 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.3 t70 -123.48 81.68 1.92 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.301 179.296 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -48.33 -36.27 14.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.612 -179.485 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.433 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.93 -31.06 11.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.952 -179.274 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.9 p -128.13 13.59 6.71 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.77 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp 50.98 33.14 8.4 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.763 0.316 . . . . 0.0 110.616 -179.755 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.554 HG21 ' CD1' ' B' ' 6' ' ' ILE . 93.4 m -121.76 141.7 50.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.272 0.558 . . . . 0.0 111.9 -178.822 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.488 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 0.9 OUTLIER -111.39 147.17 35.79 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 115.408 -0.814 . . . . 0.0 110.156 179.67 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' B' ' 6' ' ' ILE . 2.9 p -122.26 128.97 51.76 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.043 0.449 . . . . 0.0 111.323 178.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.658 HG22 ' CG ' ' A' ' 43' ' ' TRP . 68.3 t -108.64 112.52 40.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.981 179.325 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.589 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 31.3 m -105.68 119.32 38.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.825 0.345 . . . . 0.0 111.917 -178.821 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.792 179.89 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.469 ' CE ' ' CZ ' ' B' ' 3' ' ' TYR . 4.9 tmm? . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.619 0.247 . . . . 0.0 110.348 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 70.0 tp60 -95.85 134.98 38.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.764 0.316 . . . . 0.0 110.428 179.691 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.469 ' CZ ' ' CE ' ' B' ' 1' ' ' MET . 93.9 m-85 -125.03 140.48 52.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.843 0.354 . . . . 0.0 110.997 -179.916 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.507 ' O ' HG23 ' A' ' 51' ' ' THR . 4.8 ttmp? -105.59 110.26 22.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.109 179.36 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.626 HG21 HG21 ' B' ' 30' ' ' VAL . 59.9 t -94.84 135.31 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 121.245 0.545 . . . . 0.0 110.771 -179.804 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.83 HG22 ' OD1' ' B' ' 8' ' ' ASN . 69.2 mt -110.91 130.26 64.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.335 -179.789 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.521 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 10.5 mt -109.65 102.86 11.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.181 -179.431 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.83 ' OD1' HG22 ' B' ' 6' ' ' ILE . 6.2 m120 -105.38 102.73 12.18 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.092 -178.87 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.32 151.21 17.64 Favored Glycine 0 N--CA 1.45 -0.38 0 CA-C-N 116.018 -0.537 . . . . 0.0 112.456 179.312 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -46.11 -55.99 6.24 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.744 0.307 . . . . 0.0 111.811 -179.923 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.617 ' HB ' HG11 ' A' ' 29' ' ' VAL . 3.2 p -98.71 -4.91 32.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.105 -178.915 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.967 HD13 ' HB ' ' A' ' 18' ' ' THR . 18.3 tp -137.17 137.16 38.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.743 0.306 . . . . 0.0 111.356 -179.446 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.521 ' H ' HD12 ' B' ' 12' ' ' LEU . 27.6 mtpp -145.34 145.48 31.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.631 179.671 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.519 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.71 -171.11 42.68 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.011 -1.09 . . . . 0.0 113.597 -179.985 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -138.15 151.16 47.47 Favored 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 179.593 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.772 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -151.22 169.06 22.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.033 -179.503 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.484 ' O ' HD12 ' A' ' 12' ' ' LEU . 72.7 p -143.77 122.75 12.79 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.737 0.644 . . . . 0.0 112.737 -178.99 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.966 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.7 t -111.1 144.44 40.22 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.872 178.924 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -104.65 113.67 27.41 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.186 -0.301 . . . . 0.0 110.186 179.47 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.475 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -146.23 151.31 37.38 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.253 0.549 . . . . 0.0 111.952 -179.327 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 31.2 t -50.91 -26.94 4.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.97 -178.929 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.473 ' OD1' HG23 ' B' ' 25' ' ' THR . 7.3 p-10 -158.93 174.41 15.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.908 0.385 . . . . 0.0 111.731 179.635 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.6 -42.44 88.1 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.3 -179.713 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . 0.403 ' O ' ' HD3' ' B' ' 28' ' ' LYS . . . -62.15 -57.79 10.21 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.139 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.908 ' O ' HG23 ' B' ' 29' ' ' VAL . 31.4 p -50.47 -44.84 55.84 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.027 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.742 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -59.3 -49.79 76.49 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.567 178.274 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' B' ' 31' ' ' LYS . 2.8 tp10 -52.2 -48.32 65.13 Favored 'General case' 0 N--CA 1.456 -0.15 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.502 179.59 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' B' ' 31' ' ' LYS . 10.9 mptt -65.63 -48.79 71.01 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.615 179.345 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.908 HG23 ' O ' ' B' ' 25' ' ' THR . 57.8 t -49.75 -41.24 16.6 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 178.621 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.742 HG23 ' O ' ' B' ' 26' ' ' ALA . 63.4 t -64.11 -46.4 93.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 177.394 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.616 ' HD3' ' CH2' ' A' ' 43' ' ' TRP . 37.3 mmtm -47.53 -53.02 15.56 Favored 'General case' 0 C--N 1.34 0.195 0 CA-C-O 121.154 0.502 . . . . 0.0 109.68 178.796 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.457 ' HA ' ' HB3' ' B' ' 35' ' ' ASN . 3.6 tp-100 -57.56 -39.6 77.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.324 179.63 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.833 ' CD2' HD23 ' A' ' 12' ' ' LEU . 18.8 t80 -51.97 -67.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.093 179.449 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.451 ' CD1' ' CD1' ' A' ' 34' ' ' PHE . 26.0 m-85 -63.93 -36.89 85.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.373 -0.831 . . . . 0.0 110.256 179.33 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.457 ' HB3' ' HA ' ' B' ' 32' ' ' GLN . 29.3 t-20 -53.75 -38.8 64.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.359 0.6 . . . . 0.0 109.963 178.602 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -92.23 -24.07 19.14 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.087 -0.96 . . . . 0.0 111.855 -179.651 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.405 ' O ' ' C ' ' B' ' 38' ' ' GLY . 79.7 m-20 -82.56 -45.98 13.94 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.937 0.398 . . . . 0.0 110.626 179.787 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -15.48 -110.79 0.0 OUTLIER Glycine 0 CA--C 1.52 0.402 0 N-CA-C 115.953 1.141 . . . . 0.0 115.953 -179.301 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.643 HG12 ' O ' ' B' ' 39' ' ' VAL . 22.6 t -111.26 5.49 8.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 113.616 0.969 . . . . 0.0 113.616 -176.745 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -125.64 6.33 7.51 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.862 -0.523 . . . . 0.0 111.634 179.804 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.53 176.04 51.08 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.562 -0.828 . . . . 0.0 113.216 -179.436 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 2.3 mp0 -117.2 121.1 40.27 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.675 0.274 . . . . 0.0 110.376 179.538 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.661 ' CG ' HG22 ' B' ' 54' ' ' VAL . 10.5 m0 -119.96 144.46 47.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.153 -179.816 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 68.7 p -113.75 142.7 45.72 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 178.206 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.49 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 14.2 t80 -109.22 142.32 40.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.984 0.421 . . . . 0.0 111.895 -178.825 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.433 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.3 t70 -123.38 81.62 1.91 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.386 179.206 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -48.23 -36.23 13.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.624 -179.457 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.433 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.03 -31.05 11.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.914 -179.233 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.8 p -128.1 13.55 6.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.822 0.304 . . . . 0.0 111.822 -179.837 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp 51.11 33.03 8.55 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 120.751 0.31 . . . . 0.0 110.605 -179.821 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.554 HG21 ' CD1' ' A' ' 6' ' ' ILE . 93.0 m -121.71 141.7 50.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.23 0.538 . . . . 0.0 112.004 -178.876 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.49 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 0.9 OUTLIER -111.43 147.3 35.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.183 179.712 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 6' ' ' ILE . 3.0 p -122.26 128.97 51.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.054 0.454 . . . . 0.0 111.28 179.12 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.661 HG22 ' CG ' ' B' ' 43' ' ' TRP . 68.0 t -108.73 112.58 41.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.912 179.336 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.597 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 32.0 m -105.82 119.28 38.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.857 0.361 . . . . 0.0 111.892 -178.804 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.805 179.881 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.463 ' HE3' ' CZ ' ' A' ' 3' ' ' TYR . 49.3 ttp . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.836 0.35 . . . . 0.0 110.95 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -102.75 144.37 31.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.163 179.333 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.463 ' CZ ' ' HE3' ' A' ' 1' ' ' MET . 3.0 m-85 -130.79 148.68 52.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.873 0.368 . . . . 0.0 110.762 -179.922 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.466 ' O ' ' HA ' ' B' ' 51' ' ' THR . 5.0 ttpm? -107.41 151.2 25.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.913 179.444 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.741 ' HB ' HG23 ' A' ' 16' ' ' THR . 58.2 t -134.57 121.94 37.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.864 -179.416 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.526 ' HB ' HG22 ' B' ' 53' ' ' THR . 76.8 mt -94.74 124.83 47.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.057 179.497 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.473 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 12.3 mt -105.73 85.96 2.32 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.445 -179.23 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.612 ' O ' ' HA ' ' B' ' 55' ' ' THR . 4.3 m120 -94.05 109.75 21.49 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.747 -179.302 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.422 ' HA3' ' HE1' ' B' ' 33' ' ' PHE . . . -116.44 -165.86 14.24 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.671 179.568 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' NZ ' ' HB3' ' A' ' 10' ' ' LYS . 0.9 OUTLIER -75.94 -58.0 3.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.11 0.481 . . . . 0.0 110.558 179.957 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.504 ' OG1' HG13 ' B' ' 29' ' ' VAL . 6.6 p -108.79 8.49 26.73 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.237 -179.329 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.978 HD13 ' HB ' ' B' ' 18' ' ' THR . 23.9 tp -140.08 139.58 35.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.192 0.52 . . . . 0.0 111.489 -179.407 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.495 ' H ' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -145.22 147.17 32.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.012 179.391 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.498 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.09 -166.14 35.5 Favored Glycine 0 C--N 1.33 0.224 0 C-N-CA 119.839 -1.172 . . . . 0.0 113.666 179.999 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -149.1 152.7 36.63 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.932 0.396 . . . . 0.0 110.683 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.741 HG23 ' HB ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -151.06 169.48 21.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.633 -179.69 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.464 ' O ' HD12 ' B' ' 12' ' ' LEU . 43.0 p -142.22 119.59 11.58 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -178.49 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.984 ' HB ' HD13 ' B' ' 12' ' ' LEU . 15.0 t -107.79 141.61 39.1 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.571 179.25 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' A' ' 1' ' ' MET . 17.9 tp10 -98.6 110.34 22.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.885 179.29 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.686 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -146.62 147.43 31.06 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 121.255 0.55 . . . . 0.0 111.953 -179.15 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.2 -35.36 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.438 -178.792 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.6 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -148.84 172.75 14.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.801 0.334 . . . . 0.0 111.391 179.892 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.03 -43.16 86.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.496 -179.452 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.58 -54.32 41.42 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.694 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.875 ' O ' HG23 ' A' ' 29' ' ' VAL . 71.0 p -53.9 -45.81 71.22 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 178.281 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.686 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.1 -54.16 50.19 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 177.8 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -48.18 -49.28 33.21 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.214 178.811 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -61.1 -45.22 95.58 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.748 178.964 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.875 HG23 ' O ' ' A' ' 25' ' ' THR . 98.7 t -58.16 -39.52 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.195 179.085 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.615 HG12 ' CH2' ' B' ' 43' ' ' TRP . 99.0 t -68.69 -51.58 44.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 178.268 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 35' ' ' ASN . 51.5 mttp -50.48 -41.58 53.34 Favored 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.872 0.367 . . . . 0.0 110.05 178.616 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -64.03 -37.11 86.25 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.457 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.912 ' CG ' HD23 ' B' ' 12' ' ' LEU . 51.0 t80 -55.01 -60.38 3.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.127 -0.942 . . . . 0.0 110.215 179.171 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -69.28 -40.38 77.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.796 179.497 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 31' ' ' LYS . 28.6 t-20 -50.56 -38.3 44.37 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.499 0.666 . . . . 0.0 109.89 178.54 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.29 -23.32 17.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.431 -179.659 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 87.2 m-20 -80.89 -46.74 14.77 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.664 -0.414 . . . . 0.0 109.946 179.178 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.466 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -6.32 -115.58 0.0 OUTLIER Glycine 0 CA--C 1.52 0.374 0 N-CA-C 115.683 1.033 . . . . 0.0 115.683 179.743 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 39' ' ' VAL . 24.7 t -103.85 -0.44 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -175.947 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -125.2 16.7 8.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 119.126 0.875 . . . . 0.0 112.086 -179.626 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.86 167.81 53.05 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.488 -0.863 . . . . 0.0 113.145 -179.635 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 47.6 mp0 -95.3 99.48 11.42 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.288 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.613 ' CH2' HG12 ' B' ' 30' ' ' VAL . 10.5 m0 -99.45 123.34 43.64 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -177.966 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 63.1 p -109.94 135.9 50.07 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 177.8 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.511 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 26.3 t80 -104.86 144.57 31.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.068 0.461 . . . . 0.0 111.938 -178.727 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.437 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 63.9 t0 -123.21 81.23 1.86 Allowed 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.649 179.32 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.57 -36.57 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.795 -179.392 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.437 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.97 -33.67 18.52 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.357 0.502 . . . . 0.0 112.357 -178.887 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.7 p -128.32 15.74 6.64 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.659 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm 52.39 31.97 10.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.946 0.403 . . . . 0.0 110.293 -179.695 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' B' ' 4' ' ' LYS . 97.6 m -105.94 151.65 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.171 -179.385 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.561 ' O ' HG13 ' B' ' 5' ' ' VAL . 22.8 m-85 -124.61 95.77 4.65 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.108 0.48 . . . . 0.0 111.51 179.602 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.526 HG22 ' HB ' ' B' ' 6' ' ' ILE . 2.5 p -75.22 124.91 27.9 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.494 -0.776 . . . . 0.0 111.787 179.715 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.6 t -108.28 98.59 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.277 178.81 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 3.5 m -91.89 116.54 29.0 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.499 -178.677 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.783 179.88 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.415 ' O ' ' OE2' ' B' ' 19' ' ' GLU . 49.5 ttp . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.773 0.32 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -102.61 144.34 31.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.252 179.276 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.413 ' CZ ' ' HE3' ' B' ' 1' ' ' MET . 3.0 m-85 -130.78 148.72 52.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.97 0.414 . . . . 0.0 110.78 -179.933 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 51' ' ' THR . 5.0 ttpm? -107.48 151.28 25.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.911 179.473 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.731 ' HB ' HG23 ' B' ' 16' ' ' THR . 58.0 t -134.7 121.83 36.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.856 -179.275 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.526 ' HB ' HG22 ' A' ' 53' ' ' THR . 76.7 mt -94.65 124.78 47.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.14 179.497 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 12.3 mt -105.77 85.9 2.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.435 -179.172 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.614 ' O ' ' HA ' ' A' ' 55' ' ' THR . 4.3 m120 -94.04 109.76 21.49 Favored 'General case' 0 N--CA 1.462 0.136 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.842 -179.357 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.422 ' HA3' ' HE1' ' A' ' 33' ' ' PHE . . . -116.45 -165.91 14.25 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.368 -0.92 . . . . 0.0 112.597 179.673 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.466 ' NZ ' ' HB3' ' B' ' 10' ' ' LYS . 0.9 OUTLIER -75.92 -58.03 3.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.022 0.439 . . . . 0.0 110.536 179.96 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.503 ' OG1' HG13 ' A' ' 29' ' ' VAL . 6.5 p -108.71 8.59 26.94 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.291 -179.333 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.984 HD13 ' HB ' ' A' ' 18' ' ' THR . 23.8 tp -140.21 139.43 35.64 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.149 0.5 . . . . 0.0 111.512 -179.315 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.492 ' H ' HD12 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -145.13 147.21 32.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.993 179.409 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.505 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.01 -166.21 35.66 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 119.825 -1.179 . . . . 0.0 113.658 179.979 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -149.05 152.77 36.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.878 0.37 . . . . 0.0 110.715 -179.915 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.731 HG23 ' HB ' ' B' ' 5' ' ' VAL . 0.1 OUTLIER -151.14 169.36 22.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.702 -179.624 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.453 ' O ' HD12 ' A' ' 12' ' ' LEU . 42.3 p -142.17 119.6 11.62 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 -178.426 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.978 ' HB ' HD13 ' A' ' 12' ' ' LEU . 14.9 t -107.75 141.61 39.03 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.599 179.22 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' B' ' 1' ' ' MET . 17.9 tp10 -98.58 110.19 22.83 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.304 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.68 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -146.53 147.55 31.26 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.173 0.511 . . . . 0.0 112.036 -179.281 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.8 t -51.23 -35.48 15.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.312 -178.733 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.6 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -148.87 172.72 14.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.867 0.365 . . . . 0.0 111.394 179.892 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.22 86.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.526 -179.417 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.48 -54.21 43.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 179.604 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.88 ' O ' HG23 ' B' ' 29' ' ' VAL . 70.9 p -54.01 -45.75 71.61 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.309 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.68 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -59.23 -54.11 50.65 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 177.896 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -48.21 -49.18 33.92 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.24 178.817 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -61.14 -45.34 95.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.743 178.97 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.88 HG23 ' O ' ' B' ' 25' ' ' THR . 97.2 t -58.03 -39.54 72.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.141 179.082 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.613 HG12 ' CH2' ' A' ' 43' ' ' TRP . 98.9 t -68.77 -51.64 43.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.403 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' B' ' 35' ' ' ASN . 51.5 mttp -50.37 -41.57 52.02 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-O 120.915 0.388 . . . . 0.0 110.105 178.612 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -63.97 -37.29 86.86 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.436 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.901 ' CG ' HD23 ' A' ' 12' ' ' LEU . 50.9 t80 -54.83 -60.43 3.37 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.276 179.109 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -69.32 -40.21 77.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.822 179.506 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' B' ' 31' ' ' LYS . 28.6 t-20 -50.85 -38.21 47.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.477 0.656 . . . . 0.0 109.885 178.515 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -94.24 -23.27 17.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.878 -1.055 . . . . 0.0 112.444 -179.767 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.479 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 87.4 m-20 -80.93 -46.56 14.99 Favored 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.022 179.179 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.469 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -6.57 -115.65 0.0 OUTLIER Glycine 0 CA--C 1.52 0.39 0 N-CA-C 115.627 1.011 . . . . 0.0 115.627 179.751 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.616 HG12 ' O ' ' B' ' 39' ' ' VAL . 24.0 t -103.66 -0.39 10.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -175.952 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -125.3 16.96 8.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 119.061 0.846 . . . . 0.0 112.06 -179.722 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.82 167.79 53.07 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.527 -0.844 . . . . 0.0 113.099 -179.66 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.46 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 48.0 mp0 -95.29 99.64 11.55 Favored 'General case' 0 C--N 1.333 -0.144 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.22 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.615 ' CH2' HG12 ' A' ' 30' ' ' VAL . 10.5 m0 -99.73 123.27 43.83 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -177.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 63.7 p -109.86 135.8 50.17 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.888 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.507 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 26.1 t80 -104.92 144.66 31.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.999 0.428 . . . . 0.0 111.988 -178.805 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.429 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.1 t0 -123.26 81.28 1.87 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.634 179.432 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -46.63 -36.63 7.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.844 -179.366 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.429 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.8 -33.79 17.62 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -178.929 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.3 p -128.25 15.63 6.68 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.613 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 48.3 mmtm 52.34 31.98 10.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.894 0.378 . . . . 0.0 110.36 -179.591 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' A' ' 4' ' ' LYS . 97.2 m -105.68 151.68 24.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.307 -179.498 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.558 ' O ' HG13 ' A' ' 5' ' ' VAL . 22.9 m-85 -124.72 95.78 4.64 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.158 0.504 . . . . 0.0 111.45 179.569 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.526 HG22 ' HB ' ' A' ' 6' ' ' ILE . 2.6 p -75.28 124.96 28.0 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.798 179.635 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 58.9 t -108.3 98.67 7.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.279 178.739 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.612 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 3.6 m -92.02 116.45 28.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.592 -178.739 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.874 179.935 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.704 0.287 . . . . 0.0 110.365 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -104.51 137.97 41.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.456 ' CE2' ' HE3' ' B' ' 50' ' ' LYS . 12.9 m-85 -121.37 148.83 43.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.936 179.744 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.594 ' O ' HG23 ' B' ' 51' ' ' THR . 62.8 tttp -108.29 104.88 14.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.111 179.782 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.61 HG21 HG21 ' A' ' 30' ' ' VAL . 64.2 t -94.4 120.33 43.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.442 0.639 . . . . 0.0 111.36 -179.381 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.406 ' CD1' HG21 ' B' ' 51' ' ' THR . 68.7 mt -96.03 125.67 48.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.868 179.838 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.49 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 19.2 mt -104.82 93.52 4.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.5 179.606 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.429 ' O ' ' HA ' ' B' ' 55' ' ' THR . 31.7 t-20 -100.35 109.45 21.64 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.792 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.437 ' CA ' ' HB3' ' B' ' 56' ' ' GLU . . . -118.47 -166.29 13.6 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.606 179.217 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.57 ' HG2' ' HG2' ' B' ' 56' ' ' GLU . 4.9 mmmp? -80.33 -57.27 3.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 0.0 111.025 179.918 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.449 ' OG1' ' CG1' ' B' ' 29' ' ' VAL . 8.2 p -103.76 3.87 34.57 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.274 -179.482 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.968 HD13 ' HB ' ' B' ' 18' ' ' THR . 22.8 tp -137.76 138.47 39.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.316 0.579 . . . . 0.0 111.619 -179.461 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.524 ' H ' HD12 ' A' ' 12' ' ' LEU . 51.1 mtmt -145.18 143.68 30.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.824 179.449 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.487 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . -175.53 -174.64 42.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 119.845 -1.169 . . . . 0.0 113.577 -179.94 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -140.97 135.91 31.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.8 0.334 . . . . 0.0 110.176 179.696 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.781 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -135.67 167.21 21.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.991 -179.818 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.573 HG22 ' HA ' ' A' ' 4' ' ' LYS . 51.2 p -143.35 119.08 10.48 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -178.588 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.976 ' HB ' HD13 ' B' ' 12' ' ' LEU . 12.0 t -107.59 144.45 34.61 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.89 178.617 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -102.75 114.08 28.03 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 179.437 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.538 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -148.2 152.39 37.14 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 121.305 0.574 . . . . 0.0 112.287 -179.212 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 22.3 t -51.11 -35.57 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.329 -178.899 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.511 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -148.41 172.13 14.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.37 . . . . 0.0 111.453 179.832 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.33 -42.71 87.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.375 -179.467 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.3 -55.63 26.31 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 179.452 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.878 ' O ' HG23 ' A' ' 29' ' ' VAL . 35.1 p -51.73 -44.66 63.32 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 178.362 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.882 ' O ' HG23 ' A' ' 30' ' ' VAL . . . -60.49 -51.24 70.3 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.058 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 89.3 tt0 -51.37 -50.18 60.05 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.755 179.359 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -64.28 -45.16 89.27 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.547 179.384 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 25' ' ' THR . 98.6 t -55.07 -40.86 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.387 -0.598 . . . . 0.0 109.387 178.657 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 26' ' ' ALA . 22.0 t -65.63 -47.13 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 178.295 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.473 ' HB3' ' NZ ' ' A' ' 31' ' ' LYS . 9.4 mtpm? -47.51 -49.6 25.54 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.368 0.604 . . . . 0.0 109.724 178.509 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.401 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 24.8 tt0 -58.61 -37.15 75.23 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.059 -0.973 . . . . 0.0 109.461 179.933 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.895 ' CG ' HD23 ' B' ' 12' ' ' LEU . 47.0 t80 -53.8 -64.82 0.7 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 115.316 -0.857 . . . . 0.0 109.874 178.863 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.462 ' CE2' HG12 ' A' ' 30' ' ' VAL . 28.5 m-85 -65.57 -39.14 91.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.347 179.22 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.493 ' ND2' HG21 ' B' ' 39' ' ' VAL . 34.8 t-20 -50.61 -38.82 47.87 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.487 0.66 . . . . 0.0 109.774 178.42 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -94.52 -22.29 18.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.195 -179.807 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.487 ' ND2' ' CD2' ' A' ' 33' ' ' PHE . 86.5 m-20 -83.32 -46.6 12.42 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.675 179.826 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 37' ' ' ASN . . . -10.71 -112.19 0.0 OUTLIER Glycine 0 CA--C 1.522 0.495 0 N-CA-C 115.678 1.031 . . . . 0.0 115.678 -179.935 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.663 HG12 ' O ' ' A' ' 39' ' ' VAL . 21.5 t -111.3 5.32 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -176.419 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -122.62 10.76 9.75 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 121.74 -0.6 . . . . 0.0 111.987 -179.626 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.18 179.31 50.83 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.895 -179.826 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' A' ' 42' ' ' GLU . 49.0 mp0 -103.95 103.91 13.81 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 179.596 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.561 ' HH2' HG12 ' B' ' 30' ' ' VAL . 12.9 m95 -94.74 118.69 32.15 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -178.638 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.7 p -111.47 138.09 48.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.578 178.424 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.532 ' CE1' ' CZ ' ' A' ' 52' ' ' PHE . 9.6 t80 -110.54 145.91 36.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 111.655 -178.889 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.551 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 7.3 t70 -123.15 81.85 1.93 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.632 179.61 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.417 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 52.1 m-20 -45.86 -35.71 4.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.808 -179.523 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.551 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -49.71 -35.86 23.4 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -178.908 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 69.2 p -128.23 15.74 6.69 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -179.759 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HE3' ' CE2' ' B' ' 3' ' ' TYR . 31.3 mmmt 51.87 32.06 9.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.017 0.436 . . . . 0.0 110.048 -179.57 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.604 HG23 ' O ' ' B' ' 4' ' ' LYS . 85.2 m -110.96 149.97 29.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.664 -178.766 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.532 ' CZ ' ' CE1' ' A' ' 45' ' ' TYR . 31.1 m-85 -119.32 134.05 55.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.996 179.096 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -111.14 93.17 4.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.184 0.516 . . . . 0.0 111.757 179.326 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.4 t -82.6 118.46 30.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.151 178.867 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.463 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 11.0 m -85.09 160.32 20.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.265 0.555 . . . . 0.0 111.796 -178.2 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.564 ' HG2' ' HG2' ' B' ' 10' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.228 179.554 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.726 0.298 . . . . 0.0 110.38 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -104.6 138.07 41.49 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.957 0.408 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.454 ' CE2' ' HE3' ' A' ' 50' ' ' LYS . 13.3 m-85 -121.39 148.83 43.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 179.732 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.604 ' O ' HG23 ' A' ' 51' ' ' THR . 62.8 tttp -108.2 104.81 14.29 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.306 179.631 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.62 HG21 HG21 ' B' ' 30' ' ' VAL . 63.5 t -94.42 120.38 43.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.445 0.64 . . . . 0.0 111.406 -179.299 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.408 ' CD1' HG21 ' A' ' 51' ' ' THR . 68.9 mt -96.04 125.68 48.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.874 179.915 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 19.0 mt -104.77 93.56 4.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.462 179.619 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 55' ' ' THR . 31.7 t-20 -100.53 109.49 21.6 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -177.779 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.443 ' CA ' ' HB3' ' A' ' 56' ' ' GLU . . . -118.42 -166.36 13.64 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.606 179.25 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.564 ' HG2' ' HG2' ' A' ' 56' ' ' GLU . 4.9 mmmp? -80.38 -57.36 3.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.909 0.385 . . . . 0.0 110.899 179.948 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.449 ' OG1' ' CG1' ' A' ' 29' ' ' VAL . 8.3 p -103.72 3.91 34.74 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.335 -179.429 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.976 HD13 ' HB ' ' A' ' 18' ' ' THR . 22.9 tp -137.67 138.44 39.41 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.197 0.522 . . . . 0.0 111.672 -179.468 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.52 ' H ' HD12 ' B' ' 12' ' ' LEU . 51.1 mtmt -145.21 143.74 30.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.849 179.345 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . -175.55 -174.72 42.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 119.814 -1.184 . . . . 0.0 113.486 -179.824 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -140.96 136.05 31.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.915 0.388 . . . . 0.0 110.136 179.636 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.775 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -135.7 167.24 21.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.946 -179.764 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.573 HG22 ' HA ' ' B' ' 4' ' ' LYS . 50.7 p -143.46 119.02 10.37 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 -178.629 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.968 ' HB ' HD13 ' A' ' 12' ' ' LEU . 12.1 t -107.57 144.43 34.6 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.924 178.607 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -102.71 113.91 27.71 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.488 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.53 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -148.09 152.36 37.22 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 121.235 0.541 . . . . 0.0 112.416 -179.239 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 22.2 t -51.18 -35.53 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.258 -178.872 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.503 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -148.42 172.14 14.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.899 0.38 . . . . 0.0 111.404 179.891 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.2 -42.88 87.13 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.394 -179.562 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.18 -55.61 26.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.48 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.875 ' O ' HG23 ' B' ' 29' ' ' VAL . 35.5 p -51.76 -44.67 63.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.363 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.869 ' O ' HG23 ' B' ' 30' ' ' VAL . . . -60.41 -51.31 70.02 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.04 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' B' ' 31' ' ' LYS . 89.2 tt0 -51.28 -50.21 59.73 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.879 179.288 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -64.32 -45.07 89.51 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.549 179.366 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.875 HG23 ' O ' ' B' ' 25' ' ' THR . 98.7 t -55.04 -40.93 56.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.574 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.869 HG23 ' O ' ' B' ' 26' ' ' ALA . 21.9 t -65.52 -47.17 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.815 -0.809 . . . . 0.0 108.815 178.211 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.473 ' NZ ' ' HB3' ' B' ' 31' ' ' LYS . 9.4 mtpm? -47.46 -49.62 25.04 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.43 0.633 . . . . 0.0 109.836 178.486 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -58.52 -37.25 75.23 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.392 179.895 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.896 ' CG ' HD23 ' A' ' 12' ' ' LEU . 47.0 t80 -53.75 -64.81 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.921 178.885 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.466 ' CE2' HG12 ' B' ' 30' ' ' VAL . 28.6 m-85 -65.48 -39.28 91.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.481 -0.782 . . . . 0.0 110.376 179.132 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.488 ' ND2' HG21 ' A' ' 39' ' ' VAL . 34.8 t-20 -50.5 -39.02 47.35 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.519 0.676 . . . . 0.0 109.762 178.44 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -94.35 -22.46 18.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.794 -1.094 . . . . 0.0 112.21 -179.781 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.487 ' ND2' ' CD2' ' B' ' 33' ' ' PHE . 86.5 m-20 -83.22 -46.69 12.39 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.594 179.895 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' B' ' 37' ' ' ASN . . . -10.77 -112.22 0.0 OUTLIER Glycine 0 CA--C 1.521 0.456 0 N-CA-C 115.689 1.036 . . . . 0.0 115.689 -179.844 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.655 HG12 ' O ' ' B' ' 39' ' ' VAL . 21.4 t -111.2 5.31 8.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -176.416 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -122.54 10.74 9.8 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.685 -0.634 . . . . 0.0 111.944 -179.622 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.25 179.36 50.75 Favored Glycine 0 CA--C 1.52 0.382 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.847 -179.734 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' B' ' 42' ' ' GLU . 48.8 mp0 -103.99 103.92 13.81 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 179.61 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.574 ' HH2' HG12 ' A' ' 30' ' ' VAL . 13.1 m95 -94.81 118.65 32.1 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.621 0.6 . . . . 0.0 112.621 -178.6 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 56.4 p -111.48 138.09 48.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.537 178.393 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.532 ' CE1' ' CZ ' ' B' ' 52' ' ' PHE . 9.7 t80 -110.55 145.88 37.02 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.859 0.362 . . . . 0.0 111.685 -178.889 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.549 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 7.3 t70 -123.09 81.98 1.94 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.595 179.628 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.42 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 52.1 m-20 -45.94 -35.77 4.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.73 -179.555 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.549 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -49.71 -35.81 23.2 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -178.844 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 68.2 p -128.33 15.87 6.63 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 -179.744 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.456 ' HE3' ' CE2' ' A' ' 3' ' ' TYR . 31.3 mmmt 51.83 32.05 9.16 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.0 0.429 . . . . 0.0 110.096 -179.596 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 4' ' ' LYS . 85.1 m -111.06 150.0 29.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.542 -178.66 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.532 ' CZ ' ' CE1' ' B' ' 45' ' ' TYR . 31.0 m-85 -119.36 134.09 55.39 Favored 'General case' 0 C--O 1.223 -0.294 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.96 179.11 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.8 p -111.22 93.24 4.38 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.328 0.585 . . . . 0.0 111.758 179.294 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 49.7 t -82.62 118.43 30.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.169 178.827 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.462 ' O ' ' OD1' ' B' ' 37' ' ' ASN . 10.9 m -85.07 160.35 20.0 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.229 0.537 . . . . 0.0 111.818 -178.179 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.57 ' HG2' ' HG2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.305 179.534 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.7 mmm . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.808 0.337 . . . . 0.0 111.449 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -99.81 132.67 45.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.312 179.63 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -126.81 143.96 51.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.822 -179.831 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.789 ' O ' HG23 ' B' ' 51' ' ' THR . 40.1 ttmt -105.43 110.13 22.37 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.699 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.5 ' HB ' HG23 ' A' ' 16' ' ' THR . 61.2 t -95.21 126.73 47.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.36 0.6 . . . . 0.0 110.766 179.878 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 69.0 mt -101.75 127.1 55.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.602 -179.921 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.501 ' HB3' ' CZ ' ' B' ' 33' ' ' PHE . 9.4 mt -106.59 84.96 2.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.37 -179.32 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.558 ' O ' ' HA ' ' B' ' 55' ' ' THR . 78.9 m-20 -90.66 102.7 15.45 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-O 121.122 0.487 . . . . 0.0 112.248 -179.122 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -119.74 151.95 17.26 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.853 -0.612 . . . . 0.0 112.516 179.248 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -46.02 -58.17 3.82 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.825 0.345 . . . . 0.0 111.69 179.784 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.442 ' HB ' HG11 ' B' ' 29' ' ' VAL . 4.2 p -98.17 -5.88 32.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.926 -178.945 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.944 HD13 ' HB ' ' B' ' 18' ' ' THR . 14.3 tp -134.53 135.46 42.37 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.055 -179.691 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.512 ' H ' HD12 ' A' ' 12' ' ' LEU . 60.2 mttp -145.14 144.74 31.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.64 179.943 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.503 ' HA3' ' HA ' ' B' ' 16' ' ' THR . . . 179.93 -168.63 39.04 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.16 -1.019 . . . . 0.0 113.416 179.78 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -143.47 141.87 30.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.836 0.351 . . . . 0.0 110.462 179.842 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.715 ' OG1' HD11 ' B' ' 12' ' ' LEU . 0.0 OUTLIER -142.66 169.19 18.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.129 -179.422 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.55 HG22 ' HA ' ' A' ' 4' ' ' LYS . 70.7 p -143.64 121.55 12.02 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 112.748 0.648 . . . . 0.0 112.748 -178.964 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.944 ' HB ' HD13 ' B' ' 12' ' ' LEU . 11.9 t -106.07 142.6 35.5 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.892 178.704 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -102.49 114.45 28.66 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 179.648 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.621 ' HB3' ' HB2' ' A' ' 26' ' ' ALA . . . -149.04 151.06 33.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.229 0.538 . . . . 0.0 112.172 -179.402 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -51.12 -36.73 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.261 -178.732 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.62 ' OD2' HG23 ' A' ' 25' ' ' THR . 2.7 p30 -145.61 171.32 14.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.833 0.349 . . . . 0.0 111.329 179.784 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.31 -42.74 82.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.545 -179.336 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.81 -54.4 39.46 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.587 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.894 ' O ' HG23 ' A' ' 29' ' ' VAL . 76.0 p -52.74 -46.02 67.26 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.426 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.621 ' HB2' ' HB3' ' A' ' 20' ' ' ALA . . . -59.85 -53.28 59.76 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 178.04 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' O ' ' HD3' ' A' ' 31' ' ' LYS . 88.9 tt0 -50.62 -48.88 57.85 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.497 178.851 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -58.79 -41.19 86.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.568 179.493 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 25' ' ' THR . 58.4 t -56.44 -39.96 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.406 179.611 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.592 HG12 ' CH2' ' B' ' 43' ' ' TRP . 57.9 t -62.9 -47.35 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.608 178.795 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' CE ' ' CZ3' ' B' ' 43' ' ' TRP . 1.2 mptm? -50.97 -47.5 61.31 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.464 179.108 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.417 ' NE2' ' N ' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -64.6 -39.77 94.32 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.846 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.797 ' CD2' HD23 ' B' ' 12' ' ' LEU . 29.6 t80 -53.91 -58.8 5.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.433 179.413 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.483 ' CE2' ' CG1' ' A' ' 30' ' ' VAL . 24.3 m-85 -70.23 -38.28 75.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.802 179.604 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.606 HD22 HG21 ' B' ' 39' ' ' VAL . 11.7 t-20 -51.68 -38.59 55.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.353 0.597 . . . . 0.0 110.164 178.409 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -94.01 -24.54 17.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.295 -0.866 . . . . 0.0 112.424 -179.333 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 38' ' ' GLY . 88.2 m-20 -79.28 -46.28 18.08 Favored 'General case' 0 CA--C 1.519 -0.227 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.102 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.45 ' HA2' ' CB ' ' B' ' 34' ' ' PHE . . . -7.52 -118.88 0.0 OUTLIER Glycine 0 C--N 1.334 0.439 0 CA-C-N 114.595 -1.184 . . . . 0.0 115.815 179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.664 HG12 ' O ' ' A' ' 39' ' ' VAL . 40.7 t -111.89 4.99 8.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -176.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -125.29 9.23 7.91 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 121.977 -0.452 . . . . 0.0 111.559 179.94 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.33 179.14 51.72 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.853 -179.705 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -114.74 117.92 32.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.926 0.393 . . . . 0.0 110.819 179.785 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.614 ' CG ' HG22 ' A' ' 54' ' ' VAL . 12.0 m0 -121.53 146.38 47.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.799 179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.5 p -115.33 142.59 46.48 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.3 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.509 ' CE1' ' CE1' ' A' ' 52' ' ' PHE . 9.7 t80 -109.51 144.74 37.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 0.0 111.589 -178.936 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.432 ' OD1' ' HB3' ' A' ' 48' ' ' ALA . 64.8 t0 -123.3 82.93 2.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.698 179.607 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.412 ' OD1' ' CE2' ' A' ' 45' ' ' TYR . 54.0 m-20 -45.6 -37.91 6.03 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.644 -179.642 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.432 ' HB3' ' OD1' ' A' ' 46' ' ' ASP . . . -50.09 -32.13 14.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.009 -179.134 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.8 p -128.09 13.18 6.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.704 -0.225 . . . . 0.0 111.592 -179.794 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.401 ' CB ' ' NZ ' ' A' ' 50' ' ' LYS . 3.1 mtmp? 47.94 37.88 8.27 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.924 0.392 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.79 HG23 ' O ' ' B' ' 4' ' ' LYS . 94.6 m -121.69 140.71 51.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.404 -179.382 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.509 ' CE1' ' CE1' ' A' ' 45' ' ' TYR . 1.5 m-85 -108.34 145.73 34.03 Favored 'General case' 0 C--O 1.223 -0.315 0 CA-C-N 115.658 -0.701 . . . . 0.0 109.874 179.549 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -122.37 129.81 52.48 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.241 0.543 . . . . 0.0 111.201 179.316 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.614 HG22 ' CG ' ' A' ' 43' ' ' TRP . 90.4 t -107.95 110.2 31.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.318 179.736 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.557 ' HA ' ' O ' ' B' ' 8' ' ' ASN . 18.0 m -102.65 115.57 30.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.928 0.394 . . . . 0.0 111.381 -179.249 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 C--O 1.251 1.136 0 CA-C-O 118.278 -0.868 . . . . 0.0 110.713 179.926 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 92.4 mmm . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.919 0.39 . . . . 0.0 111.369 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -99.76 132.65 44.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.445 179.502 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -126.79 143.93 51.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.898 -179.86 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 4' ' ' LYS . . . . . 0.79 ' O ' HG23 ' A' ' 51' ' ' THR . 40.1 ttmt -105.31 110.28 22.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.637 -179.972 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.503 HG21 HG21 ' B' ' 30' ' ' VAL . 61.5 t -95.28 126.79 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.34 0.591 . . . . 0.0 110.738 179.789 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 68.7 mt -101.91 127.14 55.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.219 -0.901 . . . . 0.0 110.616 -179.935 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 33' ' ' PHE . 9.3 mt -106.51 84.91 2.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.343 -179.246 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.557 ' O ' ' HA ' ' A' ' 55' ' ' THR . 79.0 m-20 -90.68 102.69 15.44 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 112.158 -179.129 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.497 ' N ' ' O ' ' B' ' 12' ' ' LEU . . . -119.61 151.87 17.33 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.542 179.147 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -45.95 -58.1 3.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.894 0.378 . . . . 0.0 111.808 179.688 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 11' ' ' THR . . . . . 0.443 ' HB ' HG11 ' A' ' 29' ' ' VAL . 4.3 p -98.22 -5.86 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.983 -179.047 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 12' ' ' LEU . . . . . 0.944 HD13 ' HB ' ' A' ' 18' ' ' THR . 14.2 tp -134.55 135.45 42.31 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.98 -0.288 . . . . 0.0 110.965 -179.647 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.513 ' H ' HD12 ' B' ' 12' ' ' LEU . 60.3 mttp -145.2 144.94 31.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.689 179.82 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . 0.505 ' HA3' ' HA ' ' A' ' 16' ' ' THR . . . 179.82 -168.68 39.18 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.099 -1.048 . . . . 0.0 113.353 179.876 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -143.31 141.85 31.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 110.504 179.852 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.717 ' OG1' HD11 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -142.61 169.07 18.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.138 -179.469 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' B' B ' 17' ' ' THR . . . . . 0.551 HG22 ' HA ' ' B' ' 4' ' ' LYS . 70.6 p -143.57 121.63 12.12 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -179.072 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 18' ' ' THR . . . . . 0.944 ' HB ' HD13 ' A' ' 12' ' ' LEU . 11.8 t -106.09 142.62 35.47 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.825 178.743 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.7 tp10 -102.39 114.33 28.42 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 179.585 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' B' ' 26' ' ' ALA . . . -149.06 151.05 33.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.283 0.563 . . . . 0.0 112.119 -179.403 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -51.0 -36.85 16.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.296 -178.723 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.623 ' OD2' HG23 ' B' ' 25' ' ' THR . 2.7 p30 -145.48 171.38 14.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.368 . . . . 0.0 111.282 179.77 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.67 82.52 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.603 -179.405 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.76 -54.44 39.1 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 179.464 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 25' ' ' THR . . . . . 0.896 ' O ' HG23 ' B' ' 29' ' ' VAL . 75.4 p -52.77 -45.94 67.34 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 178.371 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' B' ' 20' ' ' ALA . . . -59.79 -53.39 58.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.126 177.9 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . 0.439 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 88.9 tt0 -50.63 -48.9 57.91 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.535 178.893 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -58.72 -41.19 85.8 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.56 179.455 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.896 HG23 ' O ' ' B' ' 25' ' ' THR . 58.1 t -56.45 -39.97 64.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.444 179.605 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.594 HG12 ' CH2' ' A' ' 43' ' ' TRP . 57.8 t -62.83 -47.5 92.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.573 178.72 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.456 ' CE ' ' CZ3' ' A' ' 43' ' ' TRP . 1.2 mptm? -50.85 -47.51 60.26 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-O 121.029 0.443 . . . . 0.0 110.556 179.139 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.42 ' NE2' ' N ' ' B' ' 33' ' ' PHE . 0.0 OUTLIER -64.71 -39.67 94.04 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.828 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' B' B ' 33' ' ' PHE . . . . . 0.803 ' CD2' HD23 ' A' ' 12' ' ' LEU . 29.7 t80 -53.97 -58.79 5.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.401 179.407 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 34' ' ' PHE . . . . . 0.483 ' CE2' ' CG1' ' B' ' 30' ' ' VAL . 24.3 m-85 -70.13 -38.36 75.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.862 179.533 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.607 HD22 HG21 ' A' ' 39' ' ' VAL . 11.7 t-20 -51.72 -38.59 55.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.239 0.542 . . . . 0.0 110.083 178.494 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -94.0 -24.54 17.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.463 -179.375 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' B' ' 38' ' ' GLY . 88.2 m-20 -79.14 -46.37 18.12 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.04 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.453 ' HA2' ' CB ' ' A' ' 34' ' ' PHE . . . -7.59 -118.89 0.0 OUTLIER Glycine 0 C--N 1.334 0.418 0 CA-C-N 114.553 -1.203 . . . . 0.0 115.727 179.995 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.66 HG12 ' O ' ' B' ' 39' ' ' VAL . 40.7 t -111.86 5.07 8.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -176.936 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -125.32 9.1 7.88 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 122.024 -0.422 . . . . 0.0 111.634 179.934 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -84.27 179.24 51.78 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.867 -179.649 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -114.82 117.85 31.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.829 0.347 . . . . 0.0 110.782 179.847 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.611 ' CG ' HG22 ' B' ' 54' ' ' VAL . 12.0 m0 -121.58 146.41 46.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.824 179.923 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 70.3 p -115.23 142.62 46.42 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.386 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 45' ' ' TYR . . . . . 0.506 ' CE1' ' CE1' ' B' ' 52' ' ' PHE . 9.8 t80 -109.63 144.75 37.53 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.934 0.397 . . . . 0.0 111.524 -178.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.426 ' OD1' ' HB3' ' B' ' 48' ' ' ALA . 64.7 t0 -123.28 82.87 2.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.598 179.726 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 47' ' ' ASP . . . . . 0.413 ' OD1' ' CE2' ' B' ' 45' ' ' TYR . 53.9 m-20 -45.6 -37.85 5.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.745 -179.685 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . 0.426 ' HB3' ' OD1' ' B' ' 46' ' ' ASP . . . -50.0 -32.26 14.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.954 -179.226 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 70.0 p -128.1 13.19 6.71 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.8 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.405 ' HB3' ' HZ3' ' B' ' 50' ' ' LYS . 3.1 mtmp? 47.9 37.9 8.2 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.927 0.394 . . . . 0.0 110.941 -179.823 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 51' ' ' THR . . . . . 0.789 HG23 ' O ' ' A' ' 4' ' ' LYS . 94.8 m -121.68 140.76 51.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.33 -179.371 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.506 ' CE1' ' CE1' ' B' ' 45' ' ' TYR . 1.5 m-85 -108.31 145.62 34.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.879 179.507 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.0 p -122.25 129.84 52.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.121 0.486 . . . . 0.0 111.253 179.225 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.611 HG22 ' CG ' ' B' ' 43' ' ' TRP . 93.0 t -107.91 110.32 31.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.247 179.716 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.558 ' HA ' ' O ' ' A' ' 8' ' ' ASN . 17.8 m -102.68 115.55 30.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.885 0.374 . . . . 0.0 111.452 -179.356 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.721 179.957 . . . . . . . . 0 0 . 1 stop_ save_